NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396002 |
1s5q   |
4635 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s5q
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1422
_Distance_constraint_stats_list.Viol_count 685
_Distance_constraint_stats_list.Viol_total 1691.250
_Distance_constraint_stats_list.Viol_max 0.839
_Distance_constraint_stats_list.Viol_rms 0.0325
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.1234
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.336 0.137 4 0 "[ . 1 . 2]"
1 2 MET 0.769 0.431 19 0 "[ . 1 . 2]"
1 3 ASN 0.304 0.187 17 0 "[ . 1 . 2]"
1 4 ILE 5.314 0.725 9 1 "[ . +1 . 2]"
1 5 GLN 0.450 0.431 19 0 "[ . 1 . 2]"
1 6 MET 0.975 0.318 8 0 "[ . 1 . 2]"
1 7 LEU 3.608 0.725 9 1 "[ . +1 . 2]"
1 8 LEU 1.241 0.225 3 0 "[ . 1 . 2]"
1 9 GLU 3.584 0.839 15 5 "[ .-** 1 + * 2]"
1 10 ALA 0.187 0.142 14 0 "[ . 1 . 2]"
1 11 ALA 0.030 0.030 5 0 "[ . 1 . 2]"
1 12 ASP 3.700 0.839 15 5 "[ .-** 1 + * 2]"
1 13 TYR 0.935 0.085 13 0 "[ . 1 . 2]"
1 14 LEU 1.338 0.085 16 0 "[ . 1 . 2]"
1 15 GLU 0.117 0.117 12 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 SER 2.072 0.231 16 0 "[ . 1 . 2]"
2 2 LEU 2.075 0.309 16 0 "[ . 1 . 2]"
2 3 GLN 0.063 0.063 3 0 "[ . 1 . 2]"
2 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 GLN 3.206 0.552 14 1 "[ . 1 +. 2]"
2 7 PRO 0.546 0.202 10 0 "[ . 1 . 2]"
2 8 VAL 0.072 0.034 20 0 "[ . 1 . 2]"
2 9 GLU 4.142 0.579 20 7 "[ . *** - **+]"
2 10 PHE 0.087 0.077 14 0 "[ . 1 . 2]"
2 11 ASN 0.057 0.044 14 0 "[ . 1 . 2]"
2 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.373 0.119 2 0 "[ . 1 . 2]"
2 14 ILE 0.947 0.294 14 0 "[ . 1 . 2]"
2 15 ASN 0.433 0.093 10 0 "[ . 1 . 2]"
2 16 TYR 2.923 0.439 19 0 "[ . 1 . 2]"
2 17 VAL 0.102 0.030 5 0 "[ . 1 . 2]"
2 18 ASN 0.573 0.488 16 0 "[ . 1 . 2]"
2 19 LYS 3.265 0.811 6 4 "[ .+ 1 - **]"
2 20 ILE 0.009 0.009 17 0 "[ . 1 . 2]"
2 21 LYS 0.012 0.010 6 0 "[ . 1 . 2]"
2 22 ASN 5.024 0.811 6 4 "[ .+ 1 - **]"
2 23 ARG 1.018 0.428 7 0 "[ . 1 . 2]"
2 24 PHE 0.276 0.276 20 0 "[ . 1 . 2]"
2 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 GLN 6.720 0.738 11 1 "[ . 1+ . 2]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 ASP 0.762 0.198 6 0 "[ . 1 . 2]"
2 30 ILE 3.089 0.738 11 1 "[ . 1+ . 2]"
2 31 TYR 0.025 0.013 9 0 "[ . 1 . 2]"
2 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 PHE 0.155 0.081 8 0 "[ . 1 . 2]"
2 35 LEU 2.084 0.747 2 3 "[ + - * 1 . 2]"
2 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ILE 0.041 0.021 9 0 "[ . 1 . 2]"
2 38 LEU 2.052 0.227 14 0 "[ . 1 . 2]"
2 39 HIS 2.055 0.747 2 3 "[ + - * 1 . 2]"
2 40 THR 0.008 0.008 6 0 "[ . 1 . 2]"
2 41 TYR 1.269 0.301 11 0 "[ . 1 . 2]"
2 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 LYS 4.073 0.621 17 5 "[ - * * 1 * + 2]"
2 44 GLU 5.067 0.637 14 5 "[ * . -* 1 * +. 2]"
2 45 GLN 0.352 0.026 7 0 "[ . 1 . 2]"
2 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ASN 5.773 0.637 14 5 "[ * . -* 1 * +. 2]"
2 48 ALA 4.101 0.647 15 3 "[ . 1 + * -]"
2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 GLU 0.749 0.154 13 0 "[ . 1 . 2]"
2 51 ALA 0.022 0.012 10 0 "[ . 1 . 2]"
2 52 GLY 0.023 0.018 2 0 "[ . 1 . 2]"
2 53 GLY 0.023 0.018 2 0 "[ . 1 . 2]"
2 54 ASN 0.005 0.005 15 0 "[ . 1 . 2]"
2 55 TYR 2.271 0.647 15 3 "[ . 1 + * -]"
2 56 THR 2.169 0.440 9 0 "[ . 1 . 2]"
2 57 PRO 2.069 0.440 9 0 "[ . 1 . 2]"
2 58 ALA 1.078 0.312 5 0 "[ . 1 . 2]"
2 59 LEU 1.976 0.367 11 0 "[ . 1 . 2]"
2 60 THR 0.128 0.100 12 0 "[ . 1 . 2]"
2 61 GLU 1.211 0.307 18 0 "[ . 1 . 2]"
2 62 GLN 0.890 0.584 6 1 "[ .+ 1 . 2]"
2 63 GLU 3.051 0.490 11 0 "[ . 1 . 2]"
2 64 VAL 1.578 0.378 13 0 "[ . 1 . 2]"
2 65 TYR 0.028 0.021 18 0 "[ . 1 . 2]"
2 66 ALA 0.096 0.048 12 0 "[ . 1 . 2]"
2 67 GLN 1.448 0.722 14 1 "[ . 1 +. 2]"
2 68 VAL 3.701 0.378 13 0 "[ . 1 . 2]"
2 69 ALA 0.519 0.119 10 0 "[ . 1 . 2]"
2 70 ARG 0.070 0.038 14 0 "[ . 1 . 2]"
2 71 LEU 1.506 0.698 1 1 "[+ . 1 . 2]"
2 72 PHE 2.317 0.698 1 1 "[+ . 1 . 2]"
2 73 LYS 3.375 0.427 19 0 "[ . 1 . 2]"
2 74 ASN 0.189 0.045 20 0 "[ . 1 . 2]"
2 75 GLN 0.909 0.507 20 1 "[ . 1 . +]"
2 76 GLU 0.370 0.067 6 0 "[ . 1 . 2]"
2 77 ASP 0.032 0.016 12 0 "[ . 1 . 2]"
2 78 LEU 0.591 0.131 2 0 "[ . 1 . 2]"
2 79 LEU 2.937 0.129 13 0 "[ . 1 . 2]"
2 80 SER 0.032 0.016 12 0 "[ . 1 . 2]"
2 81 GLU 4.210 0.439 19 0 "[ . 1 . 2]"
2 82 PHE 0.315 0.129 13 0 "[ . 1 . 2]"
2 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 GLN 0.277 0.129 17 0 "[ . 1 . 2]"
2 85 PHE 0.002 0.002 17 0 "[ . 1 . 2]"
2 86 LEU 0.625 0.213 13 0 "[ . 1 . 2]"
2 87 PRO 0.063 0.020 14 0 "[ . 1 . 2]"
2 88 ASP 0.158 0.039 15 0 "[ . 1 . 2]"
2 89 ALA 0.166 0.039 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 41 TYR HB3 2 41 TYR QD 2.400 . 3.100 2.386 2.322 2.465 . 0 0 "[ . 1 . 2]" 1
2 2 41 TYR HB2 2 41 TYR QD 2.200 . 2.800 2.413 2.342 2.489 . 0 0 "[ . 1 . 2]" 1
3 2 41 TYR QD 2 42 GLN HA 2.900 . 4.000 3.161 2.838 3.628 . 0 0 "[ . 1 . 2]" 1
4 1 4 ILE MG 2 41 TYR QD 2.700 . 3.600 2.544 2.042 3.064 . 0 0 "[ . 1 . 2]" 1
5 2 41 TYR QD 2 59 LEU QD 3.000 . 4.200 2.891 1.837 4.181 . 0 0 "[ . 1 . 2]" 1
6 2 16 TYR HB3 2 16 TYR QD 2.500 . 3.300 2.295 2.276 2.327 . 0 0 "[ . 1 . 2]" 1
7 2 48 ALA HA 2 55 TYR QD 2.800 . 3.800 2.831 2.068 3.499 . 0 0 "[ . 1 . 2]" 1
8 2 55 TYR HA 2 55 TYR QD 2.500 . 3.300 2.802 2.706 3.020 . 0 0 "[ . 1 . 2]" 1
9 2 16 TYR HB2 2 16 TYR QD 2.400 . 3.100 2.561 2.486 2.643 . 0 0 "[ . 1 . 2]" 1
10 1 7 LEU QD 2 16 TYR QD 2.500 . 3.300 2.049 1.822 2.361 . 0 0 "[ . 1 . 2]" 1
11 2 55 TYR HB2 2 55 TYR QD 2.400 . 3.100 2.455 2.363 2.502 . 0 0 "[ . 1 . 2]" 1
12 2 16 TYR QD 2 17 VAL MG1 3.500 . 5.100 4.819 4.489 5.047 . 0 0 "[ . 1 . 2]" 1
13 2 65 TYR QD 2 69 ALA MB 3.400 . 4.900 3.606 2.890 3.857 . 0 0 "[ . 1 . 2]" 1
14 2 65 TYR QD 2 66 ALA MB 3.600 . 5.200 4.024 3.729 4.363 . 0 0 "[ . 1 . 2]" 1
15 2 65 TYR HB2 2 65 TYR QD 2.600 . 3.500 2.447 2.322 2.581 . 0 0 "[ . 1 . 2]" 1
16 2 65 TYR HB3 2 65 TYR QD 2.700 . 3.600 2.367 2.289 2.502 . 0 0 "[ . 1 . 2]" 1
17 2 31 TYR HA 2 31 TYR QD 2.500 . 3.300 2.376 2.266 2.662 . 0 0 "[ . 1 . 2]" 1
18 2 31 TYR HB3 2 31 TYR QD 2.100 . 2.700 2.280 2.274 2.319 . 0 0 "[ . 1 . 2]" 1
19 2 20 ILE MG 2 31 TYR QD 2.400 . 3.100 2.570 2.196 2.914 . 0 0 "[ . 1 . 2]" 1
20 2 31 TYR QD 2 35 LEU MD1 3.300 . 4.700 3.218 3.076 3.508 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU QD 2 85 PHE QD 4.000 . 6.000 3.177 2.623 3.954 . 0 0 "[ . 1 . 2]" 1
22 2 20 ILE HA 2 24 PHE QD 3.500 . 5.000 2.916 2.542 3.597 . 0 0 "[ . 1 . 2]" 1
23 2 24 PHE HB2 2 24 PHE QD 2.700 . 3.600 2.371 2.296 2.436 . 0 0 "[ . 1 . 2]" 1
24 2 24 PHE QD 2 27 GLN HB3 3.400 . 4.800 3.767 2.540 4.385 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU QD 2 85 PHE QE 3.600 . 5.300 2.999 2.360 4.420 . 0 0 "[ . 1 . 2]" 1
26 2 34 PHE QD 2 68 VAL QG . . 3.100 2.440 1.919 2.719 0.081 8 0 "[ . 1 . 2]" 1
27 2 34 PHE QD 2 35 LEU HG 3.700 . 5.400 3.661 2.931 4.051 . 0 0 "[ . 1 . 2]" 1
28 2 82 PHE HA 2 82 PHE QD 2.700 . 3.600 2.681 2.375 2.927 . 0 0 "[ . 1 . 2]" 1
29 2 82 PHE HB3 2 82 PHE QD 2.700 . 3.600 2.311 2.268 2.387 . 0 0 "[ . 1 . 2]" 1
30 2 68 VAL QG 2 82 PHE QD 3.600 . 5.200 3.376 3.139 3.849 . 0 0 "[ . 1 . 2]" 1
31 2 10 PHE HB2 2 10 PHE QD 3.000 . 4.100 2.528 2.433 2.611 . 0 0 "[ . 1 . 2]" 1
32 2 10 PHE QD 2 14 ILE MD 3.900 . 5.800 3.239 2.928 3.610 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLU HB3 2 10 PHE QE 3.400 . 4.900 3.683 2.714 4.268 . 0 0 "[ . 1 . 2]" 1
34 1 10 ALA MB 2 10 PHE QE 4.300 . 6.000 3.853 3.499 4.305 . 0 0 "[ . 1 . 2]" 1
35 2 24 PHE QE 2 30 ILE MG 3.400 . 4.900 3.092 2.802 3.317 . 0 0 "[ . 1 . 2]" 1
36 2 20 ILE HG12 2 24 PHE QE 4.400 . 6.000 4.020 3.431 4.998 . 0 0 "[ . 1 . 2]" 1
37 2 65 TYR HA 2 82 PHE QE 3.000 . 4.100 3.708 3.088 4.107 0.007 10 0 "[ . 1 . 2]" 1
38 2 38 LEU QD 2 82 PHE QE 2.800 . 3.800 2.304 1.985 2.761 0.015 9 0 "[ . 1 . 2]" 1
39 2 30 ILE MG 2 72 PHE QE 3.100 . 4.300 2.563 2.040 3.904 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU QD 2 34 PHE HZ 3.400 . 4.800 2.658 1.974 3.513 0.026 5 0 "[ . 1 . 2]" 1
41 2 72 PHE QD 2 79 LEU HA 3.100 . 4.300 4.159 3.570 4.337 0.037 17 0 "[ . 1 . 2]" 1
42 2 72 PHE HB2 2 72 PHE QD 2.800 . 3.800 2.287 2.256 2.603 . 0 0 "[ . 1 . 2]" 1
43 2 72 PHE QD 2 79 LEU HB2 3.300 . 4.700 4.232 3.266 4.750 0.050 20 0 "[ . 1 . 2]" 1
44 2 72 PHE QD 2 78 LEU HB3 3.300 . 4.600 3.934 2.962 4.716 0.116 5 0 "[ . 1 . 2]" 1
45 2 71 LEU HB2 2 72 PHE QD 3.200 . 4.500 3.836 3.587 4.556 0.056 1 0 "[ . 1 . 2]" 1
46 1 10 ALA HA 2 10 PHE HZ 3.100 . 4.300 3.909 3.466 4.296 . 0 0 "[ . 1 . 2]" 1
47 1 13 TYR HB3 2 10 PHE HZ 3.700 . 5.500 3.857 3.295 4.234 . 0 0 "[ . 1 . 2]" 1
48 1 13 TYR HB2 2 10 PHE HZ 3.600 . 5.200 3.502 2.711 3.991 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MD 2 82 PHE HZ 3.100 . 4.300 2.537 1.895 3.543 0.005 13 0 "[ . 1 . 2]" 1
50 2 38 LEU QD 2 82 PHE HZ 3.300 . 4.500 2.765 2.200 3.686 . 0 0 "[ . 1 . 2]" 1
51 2 10 PHE HZ 2 14 ILE MD 3.100 . 4.300 2.907 2.555 3.496 . 0 0 "[ . 1 . 2]" 1
52 2 24 PHE HZ 2 75 GLN HG3 3.300 . 4.700 3.231 2.214 4.976 0.276 20 0 "[ . 1 . 2]" 1
53 2 13 ALA HA 2 85 PHE HZ 3.100 . 4.300 3.809 2.718 4.299 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU QD 2 85 PHE HZ 4.000 . 6.000 3.539 2.545 5.540 . 0 0 "[ . 1 . 2]" 1
55 2 39 HIS HA 2 39 HIS HD2 3.500 . 5.100 3.419 2.310 4.641 . 0 0 "[ . 1 . 2]" 1
56 2 36 GLU HA 2 39 HIS HD2 4.300 . 6.000 4.341 2.539 5.652 . 0 0 "[ . 1 . 2]" 1
57 2 35 LEU HA 2 39 HIS HD2 3.700 . 5.400 4.418 3.351 5.429 0.029 9 0 "[ . 1 . 2]" 1
58 2 39 HIS HB2 2 39 HIS HD2 3.800 . 5.600 3.042 2.709 3.914 . 0 0 "[ . 1 . 2]" 1
59 2 35 LEU HB2 2 39 HIS HD2 5.200 . 6.000 5.002 3.641 6.747 0.747 2 3 "[ + - * 1 . 2]" 1
60 1 8 LEU QD 2 39 HIS HD2 3.400 . 4.800 2.827 2.096 4.580 . 0 0 "[ . 1 . 2]" 1
61 2 12 HIS HB3 2 12 HIS HD2 3.800 . 5.600 3.440 2.794 3.966 . 0 0 "[ . 1 . 2]" 1
62 2 12 HIS HB2 2 12 HIS HD2 3.700 . 5.400 3.444 2.732 3.971 . 0 0 "[ . 1 . 2]" 1
63 2 55 TYR QE 2 57 PRO HA 2.400 . 3.100 2.679 1.949 3.111 0.011 11 0 "[ . 1 . 2]" 1
64 2 44 GLU HA 2 55 TYR QE 3.500 . 5.000 3.929 2.947 4.872 . 0 0 "[ . 1 . 2]" 1
65 2 48 ALA HA 2 55 TYR QE 3.700 . 5.400 3.910 2.911 4.542 . 0 0 "[ . 1 . 2]" 1
66 2 55 TYR HB3 2 55 TYR QE 4.400 . 6.000 4.406 4.395 4.426 . 0 0 "[ . 1 . 2]" 1
67 2 55 TYR QE 2 57 PRO HB3 3.100 . 4.300 3.205 2.031 4.317 0.017 2 0 "[ . 1 . 2]" 1
68 2 44 GLU QB 2 55 TYR QE 3.500 . 5.100 3.778 2.306 4.799 . 0 0 "[ . 1 . 2]" 1
69 2 41 TYR QE 2 60 THR HA 3.400 . 4.800 2.890 2.184 4.100 . 0 0 "[ . 1 . 2]" 1
70 2 16 TYR QE 2 78 LEU HA 2.400 . 3.100 2.265 1.798 2.950 . 0 0 "[ . 1 . 2]" 1
71 2 41 TYR QE 2 61 GLU HA 3.300 . 4.700 2.888 1.920 3.539 . 0 0 "[ . 1 . 2]" 1
72 1 1 ARG QD 2 41 TYR QE 3.200 . 4.500 4.146 3.426 4.506 0.006 2 0 "[ . 1 . 2]" 1
73 2 41 TYR QE 2 61 GLU HG3 3.100 . 4.300 3.283 2.473 4.060 . 0 0 "[ . 1 . 2]" 1
74 2 21 LYS QD 2 31 TYR QE 2.900 . 3.900 3.269 2.664 3.763 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU QD 2 16 TYR QE 3.500 . 3.800 2.574 2.128 2.950 . 0 0 "[ . 1 . 2]" 1
76 2 16 TYR QE 2 78 LEU HB2 4.000 . 6.000 4.592 4.031 5.284 . 0 0 "[ . 1 . 2]" 1
77 2 16 TYR QE 2 81 GLU HB2 2.500 . 3.300 2.684 1.929 3.630 0.330 12 0 "[ . 1 . 2]" 1
78 2 16 TYR QE 2 81 GLU HB3 2.700 . 3.600 3.073 2.103 3.610 0.010 11 0 "[ . 1 . 2]" 1
79 2 65 TYR QE 2 69 ALA MB 3.100 . 4.300 3.656 3.129 3.965 . 0 0 "[ . 1 . 2]" 1
80 2 65 TYR QE 2 79 LEU QD 2.800 . 3.800 2.857 2.439 3.543 . 0 0 "[ . 1 . 2]" 1
81 2 16 TYR QE 2 78 LEU HB3 3.300 . 4.700 3.457 2.838 4.451 . 0 0 "[ . 1 . 2]" 1
82 2 20 ILE HB 2 31 TYR QE 3.300 . 4.700 3.560 3.096 4.197 . 0 0 "[ . 1 . 2]" 1
83 2 65 TYR QE 2 82 PHE HB3 4.700 . 6.000 5.236 3.827 6.021 0.021 18 0 "[ . 1 . 2]" 1
84 2 20 ILE HB 2 31 TYR QD 3.400 . 4.900 3.479 3.089 3.914 . 0 0 "[ . 1 . 2]" 1
85 2 31 TYR QD 2 34 PHE HB3 3.300 . 4.700 4.114 3.599 4.618 . 0 0 "[ . 1 . 2]" 1
86 2 21 LYS QG 2 31 TYR QD 3.400 . 4.800 3.694 3.384 4.004 . 0 0 "[ . 1 . 2]" 1
87 2 55 TYR QD 2 57 PRO HD3 3.100 . 4.300 2.962 1.927 4.281 . 0 0 "[ . 1 . 2]" 1
88 1 6 MET ME 2 10 PHE QD 4.000 . 6.000 3.641 2.285 5.410 . 0 0 "[ . 1 . 2]" 1
89 1 6 MET HB2 2 85 PHE QE 3.900 . 5.800 4.418 3.307 5.484 . 0 0 "[ . 1 . 2]" 1
90 2 30 ILE HA 2 30 ILE MG 2.600 . 3.400 2.342 2.298 2.403 . 0 0 "[ . 1 . 2]" 1
91 2 30 ILE HB 2 30 ILE MG 2.200 . 2.800 2.127 2.126 2.127 . 0 0 "[ . 1 . 2]" 1
92 2 30 ILE HG12 2 30 ILE MG 3.100 . 4.300 3.206 3.203 3.208 . 0 0 "[ . 1 . 2]" 1
93 2 30 ILE MD 2 30 ILE MG 2.200 . 2.800 1.999 1.974 2.027 . 0 0 "[ . 1 . 2]" 1
94 2 37 ILE MD 2 67 GLN QB 2.500 . 3.300 2.466 2.059 3.164 . 0 0 "[ . 1 . 2]" 1
95 2 37 ILE HB 2 37 ILE MD 2.100 . 2.700 1.986 1.974 1.995 . 0 0 "[ . 1 . 2]" 1
96 2 37 ILE MD 2 37 ILE HG12 2.200 . 2.800 2.119 2.118 2.121 . 0 0 "[ . 1 . 2]" 1
97 2 37 ILE MD 2 68 VAL QG 2.700 . 3.600 2.197 1.979 3.273 0.021 9 0 "[ . 1 . 2]" 1
98 2 17 VAL HA 2 20 ILE MD 2.500 . 3.300 2.979 2.577 3.309 0.009 17 0 "[ . 1 . 2]" 1
99 2 20 ILE HA 2 20 ILE MD 4.000 . 6.000 3.838 3.815 3.856 . 0 0 "[ . 1 . 2]" 1
100 2 20 ILE HB 2 20 ILE MD 2.600 . 3.400 2.427 2.406 2.446 . 0 0 "[ . 1 . 2]" 1
101 2 17 VAL MG1 2 20 ILE MD 3.200 . 4.500 4.096 3.656 4.457 . 0 0 "[ . 1 . 2]" 1
102 2 20 ILE MD 2 20 ILE HG13 2.400 . 3.100 2.119 2.116 2.121 . 0 0 "[ . 1 . 2]" 1
103 2 20 ILE MD 2 20 ILE HG12 2.200 . 2.800 2.117 2.113 2.119 . 0 0 "[ . 1 . 2]" 1
104 2 19 LYS QB 2 20 ILE MD 4.200 . 6.000 4.445 4.339 4.520 . 0 0 "[ . 1 . 2]" 1
105 2 11 ASN HA 2 14 ILE MD 2.800 . 3.800 3.196 2.424 3.844 0.044 14 0 "[ . 1 . 2]" 1
106 1 10 ALA HA 2 14 ILE MD 3.600 . 5.000 3.702 2.556 4.079 . 0 0 "[ . 1 . 2]" 1
107 2 14 ILE HA 2 14 ILE MD 3.500 . 5.000 3.710 2.132 3.851 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU QB 2 14 ILE MD 4.300 . 5.000 4.696 3.600 5.041 0.041 12 0 "[ . 1 . 2]" 1
109 2 14 ILE HB 2 14 ILE MD 2.800 . 3.800 2.487 2.413 3.226 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA MB 2 14 ILE MD 3.500 . 4.000 3.444 1.955 3.725 0.045 14 0 "[ . 1 . 2]" 1
111 1 14 LEU QD 2 14 ILE MD 3.100 . 4.000 2.669 2.154 3.956 . 0 0 "[ . 1 . 2]" 1
112 2 14 ILE MD 2 14 ILE HG12 2.100 . 2.600 2.117 2.105 2.118 . 0 0 "[ . 1 . 2]" 1
113 2 59 LEU HA 2 59 LEU HB3 2.700 . 3.600 2.805 2.447 3.022 . 0 0 "[ . 1 . 2]" 1
114 2 59 LEU HA 2 59 LEU HB2 2.800 . 3.800 2.762 2.455 3.020 . 0 0 "[ . 1 . 2]" 1
115 2 41 TYR HA 2 59 LEU HB2 3.600 . 5.200 3.762 2.384 5.071 . 0 0 "[ . 1 . 2]" 1
116 2 41 TYR HA 2 59 LEU HB3 3.500 . 5.000 3.119 2.093 4.477 . 0 0 "[ . 1 . 2]" 1
117 2 59 LEU HB3 2 59 LEU QD 2.800 . 3.800 2.223 2.067 2.316 . 0 0 "[ . 1 . 2]" 1
118 2 59 LEU HB2 2 59 LEU QD 2.800 . 3.800 2.220 2.111 2.375 . 0 0 "[ . 1 . 2]" 1
119 2 70 ARG QD 2 70 ARG HG2 2.300 . 3.000 2.263 2.171 2.369 . 0 0 "[ . 1 . 2]" 1
120 2 46 ARG QD 2 46 ARG HG2 2.400 . 3.100 2.295 2.171 2.365 . 0 0 "[ . 1 . 2]" 1
121 2 46 ARG QD 2 46 ARG HG3 2.400 . 3.100 2.321 2.174 2.364 . 0 0 "[ . 1 . 2]" 1
122 2 46 ARG QB 2 46 ARG QD 2.300 . 3.000 2.214 2.119 2.341 . 0 0 "[ . 1 . 2]" 1
123 2 70 ARG HB2 2 70 ARG HD2 2.100 . 2.700 2.095 2.001 2.220 . 0 0 "[ . 1 . 2]" 1
124 2 46 ARG HA 2 46 ARG QD 3.600 . 5.200 4.096 3.956 4.279 . 0 0 "[ . 1 . 2]" 1
125 2 43 LYS HA 2 46 ARG QD 3.400 . 4.800 3.969 3.061 4.595 . 0 0 "[ . 1 . 2]" 1
126 2 70 ARG HA 2 70 ARG QD 3.700 . 5.400 3.585 1.992 4.269 0.008 14 0 "[ . 1 . 2]" 1
127 2 30 ILE MD 2 71 LEU HA 4.000 . 6.000 4.209 3.596 4.974 . 0 0 "[ . 1 . 2]" 1
128 2 27 GLN HB3 2 30 ILE MD 2.900 . 4.000 3.531 3.089 3.953 . 0 0 "[ . 1 . 2]" 1
129 2 27 GLN HB2 2 30 ILE MD 3.600 . 5.200 4.294 3.489 5.222 0.022 13 0 "[ . 1 . 2]" 1
130 2 30 ILE HB 2 30 ILE MD 2.900 . 4.000 3.239 3.236 3.240 . 0 0 "[ . 1 . 2]" 1
131 2 30 ILE MD 2 30 ILE HG13 2.400 . 3.100 2.120 2.120 2.121 . 0 0 "[ . 1 . 2]" 1
132 2 30 ILE MD 2 30 ILE HG12 2.400 . 3.100 2.118 2.116 2.119 . 0 0 "[ . 1 . 2]" 1
133 2 68 VAL HA 2 71 LEU HB3 3.700 . 5.400 4.514 3.053 4.855 . 0 0 "[ . 1 . 2]" 1
134 2 71 LEU HB2 2 71 LEU HG 2.400 . 3.100 2.535 2.461 3.007 . 0 0 "[ . 1 . 2]" 1
135 2 2 LEU HB2 2 2 LEU QD 2.700 . 3.600 2.195 2.102 2.321 . 0 0 "[ . 1 . 2]" 1
136 2 79 LEU HB3 2 79 LEU QD 3.100 . 3.100 2.229 2.094 2.336 . 0 0 "[ . 1 . 2]" 1
137 2 79 LEU HB2 2 79 LEU HG 2.300 . 3.000 2.755 2.452 3.023 0.023 17 0 "[ . 1 . 2]" 1
138 2 79 LEU HB3 2 79 LEU HG 2.500 . 3.300 2.670 2.410 3.021 . 0 0 "[ . 1 . 2]" 1
139 2 76 GLU HA 2 79 LEU HB3 3.300 . 4.600 3.636 2.548 4.587 . 0 0 "[ . 1 . 2]" 1
140 2 73 LYS QE 2 73 LYS QG 2.600 . 3.500 2.386 2.138 2.784 . 0 0 "[ . 1 . 2]" 1
141 2 21 LYS QD 2 21 LYS QE 2.300 . 3.000 2.015 1.997 2.091 . 0 0 "[ . 1 . 2]" 1
142 2 21 LYS QE 2 21 LYS QG 2.500 . 3.300 2.344 2.138 2.794 . 0 0 "[ . 1 . 2]" 1
143 2 40 THR MG 2 43 LYS QE 3.800 . 5.600 4.608 2.976 5.475 . 0 0 "[ . 1 . 2]" 1
144 2 32 LYS QD 2 32 LYS QE 2.300 . 3.000 2.039 1.998 2.091 . 0 0 "[ . 1 . 2]" 1
145 2 19 LYS HB3 2 19 LYS HE3 3.700 . 5.400 4.216 2.095 4.789 . 0 0 "[ . 1 . 2]" 1
146 2 19 LYS HB3 2 19 LYS HE2 3.500 . 5.000 4.402 2.756 4.805 . 0 0 "[ . 1 . 2]" 1
147 2 19 LYS HE3 2 19 LYS HG2 3.300 . 4.700 3.158 2.484 4.237 . 0 0 "[ . 1 . 2]" 1
148 2 19 LYS HE2 2 19 LYS HG2 3.300 . 4.700 3.369 2.486 4.210 . 0 0 "[ . 1 . 2]" 1
149 2 19 LYS HE3 2 78 LEU QD 3.200 . 4.500 3.443 2.358 4.376 . 0 0 "[ . 1 . 2]" 1
150 2 19 LYS HE2 2 78 LEU QD 3.100 . 4.300 3.543 2.304 4.402 0.102 11 0 "[ . 1 . 2]" 1
151 2 19 LYS HE3 2 19 LYS HG3 3.300 . 4.600 3.111 2.398 3.740 . 0 0 "[ . 1 . 2]" 1
152 2 78 LEU HA 2 78 LEU HB3 2.900 . 3.900 2.624 2.457 2.730 . 0 0 "[ . 1 . 2]" 1
153 2 78 LEU HA 2 78 LEU HB2 3.000 . 4.100 2.987 2.942 3.020 . 0 0 "[ . 1 . 2]" 1
154 2 35 LEU HB2 2 35 LEU HG 2.600 . 3.400 2.463 2.437 2.486 . 0 0 "[ . 1 . 2]" 1
155 2 35 LEU HB2 2 35 LEU QD 2.500 . 3.300 2.290 2.268 2.312 . 0 0 "[ . 1 . 2]" 1
156 2 78 LEU HB2 2 78 LEU QD 3.000 . 3.600 2.142 2.109 2.263 . 0 0 "[ . 1 . 2]" 1
157 2 78 LEU HB3 2 78 LEU QD 2.900 . 3.900 2.293 2.110 2.379 . 0 0 "[ . 1 . 2]" 1
158 2 35 LEU HB3 2 35 LEU HG 2.900 . 4.000 3.020 3.019 3.022 . 0 0 "[ . 1 . 2]" 1
159 2 35 LEU HB3 2 35 LEU QD 2.500 . 3.300 2.108 2.103 2.116 . 0 0 "[ . 1 . 2]" 1
160 2 35 LEU HA 2 35 LEU HB2 2.900 . 3.900 3.019 3.015 3.022 . 0 0 "[ . 1 . 2]" 1
161 2 35 LEU HA 2 35 LEU HB3 2.900 . 3.900 2.494 2.452 2.533 . 0 0 "[ . 1 . 2]" 1
162 2 88 ASP HA 2 88 ASP HB2 2.900 . 4.000 2.697 2.438 3.027 . 0 0 "[ . 1 . 2]" 1
163 2 88 ASP HA 2 88 ASP HB3 2.700 . 3.600 2.709 2.353 3.027 . 0 0 "[ . 1 . 2]" 1
164 2 51 ALA MB 2 55 TYR HB2 2.800 . 3.800 2.680 1.963 3.537 . 0 0 "[ . 1 . 2]" 1
165 2 55 TYR HA 2 55 TYR HB2 2.800 . 3.800 2.471 2.430 2.540 . 0 0 "[ . 1 . 2]" 1
166 2 38 LEU HB2 2 38 LEU HG 2.700 . 3.600 2.507 2.310 2.985 . 0 0 "[ . 1 . 2]" 1
167 2 38 LEU HA 2 38 LEU HB3 3.000 . 4.100 2.420 2.342 2.544 . 0 0 "[ . 1 . 2]" 1
168 2 38 LEU HB3 2 38 LEU HG 2.900 . 4.000 2.937 2.621 3.016 . 0 0 "[ . 1 . 2]" 1
169 1 4 ILE MG 2 38 LEU HB3 3.400 . 4.900 2.187 1.919 2.754 . 0 0 "[ . 1 . 2]" 1
170 2 60 THR HB 2 60 THR MG 2.300 . 2.900 2.134 2.133 2.135 . 0 0 "[ . 1 . 2]" 1
171 2 23 ARG HD2 2 23 ARG QG 3.000 . 4.100 2.319 2.171 2.396 . 0 0 "[ . 1 . 2]" 1
172 2 23 ARG HD3 2 23 ARG QG 2.800 . 3.800 2.316 2.168 2.387 . 0 0 "[ . 1 . 2]" 1
173 2 23 ARG HA 2 23 ARG HD3 2.900 . 3.900 2.751 2.030 3.898 . 0 0 "[ . 1 . 2]" 1
174 2 29 ASP HA 2 29 ASP HB3 2.600 . 3.500 2.600 2.403 3.027 . 0 0 "[ . 1 . 2]" 1
175 2 10 PHE HA 2 10 PHE HB2 2.900 . 4.000 2.497 2.462 2.546 . 0 0 "[ . 1 . 2]" 1
176 2 10 PHE HA 2 10 PHE HB3 3.000 . 4.100 3.026 3.020 3.030 . 0 0 "[ . 1 . 2]" 1
177 2 5 ASN HA 2 5 ASN HB2 2.700 . 3.600 2.746 2.418 3.026 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU QD 2 18 ASN HB2 3.100 . 4.300 2.741 2.067 4.385 0.085 16 0 "[ . 1 . 2]" 1
179 2 16 TYR HA 2 16 TYR HB3 2.800 . 3.800 3.026 3.024 3.027 . 0 0 "[ . 1 . 2]" 1
180 2 85 PHE HA 2 85 PHE HB3 2.800 . 3.800 2.523 2.458 2.597 . 0 0 "[ . 1 . 2]" 1
181 2 22 ASN HA 2 22 ASN HB2 2.600 . 3.400 2.571 2.430 3.022 . 0 0 "[ . 1 . 2]" 1
182 2 54 ASN HA 2 54 ASN HB2 2.900 . 3.900 2.804 2.442 3.028 . 0 0 "[ . 1 . 2]" 1
183 2 12 HIS HA 2 15 ASN HB2 3.300 . 4.600 3.261 2.413 4.511 . 0 0 "[ . 1 . 2]" 1
184 2 74 ASN HA 2 74 ASN HB2 2.900 . 3.900 2.679 2.443 3.027 . 0 0 "[ . 1 . 2]" 1
185 2 20 ILE HB 2 20 ILE MG 2.300 . 3.000 2.129 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
186 2 37 ILE HB 2 37 ILE MD 2.500 . 3.300 2.395 2.353 2.431 . 0 0 "[ . 1 . 2]" 1
187 2 14 ILE HB 2 14 ILE MG 2.400 . 3.100 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
188 2 20 ILE HB 2 20 ILE HG13 2.700 . 3.600 2.480 2.464 2.492 . 0 0 "[ . 1 . 2]" 1
189 2 14 ILE HB 2 14 ILE HG13 3.000 . 4.100 2.454 2.367 2.492 . 0 0 "[ . 1 . 2]" 1
190 2 17 VAL HA 2 20 ILE HB 2.800 . 3.800 3.225 3.061 3.388 . 0 0 "[ . 1 . 2]" 1
191 2 34 PHE HA 2 37 ILE HB 3.400 . 4.900 3.088 2.830 3.373 . 0 0 "[ . 1 . 2]" 1
192 2 11 ASN HA 2 14 ILE HB 2.600 . 3.400 3.074 2.596 3.393 . 0 0 "[ . 1 . 2]" 1
193 2 81 GLU HA 2 81 GLU HG2 3.100 . 4.300 3.203 2.548 3.764 . 0 0 "[ . 1 . 2]" 1
194 2 63 GLU HA 2 63 GLU QG 2.500 . 3.300 2.736 2.345 3.014 . 0 0 "[ . 1 . 2]" 1
195 2 44 GLU HG3 2 58 ALA MB 3.600 . 5.300 3.878 1.882 5.266 0.018 13 0 "[ . 1 . 2]" 1
196 2 27 GLN HB2 2 30 ILE HB 3.700 . 5.400 3.882 3.185 5.414 0.014 13 0 "[ . 1 . 2]" 1
197 2 27 GLN HB3 2 30 ILE HB 4.000 . 6.000 3.949 3.183 4.343 . 0 0 "[ . 1 . 2]" 1
198 2 24 PHE HB2 2 30 ILE HB 3.800 . 5.600 3.448 2.798 3.948 . 0 0 "[ . 1 . 2]" 1
199 2 24 PHE HB3 2 30 ILE HB 3.100 . 4.300 2.674 2.406 2.855 . 0 0 "[ . 1 . 2]" 1
200 2 17 VAL HA 2 17 VAL MG2 2.400 . 3.100 2.396 2.357 2.445 . 0 0 "[ . 1 . 2]" 1
201 2 68 VAL HA 2 68 VAL QG 2.500 . 3.100 2.136 2.107 2.150 . 0 0 "[ . 1 . 2]" 1
202 2 64 VAL HA 2 64 VAL MG1 2.300 . 2.900 2.478 2.248 2.712 . 0 0 "[ . 1 . 2]" 1
203 2 37 ILE MD 2 68 VAL HA 3.100 . 4.300 2.918 2.567 4.057 . 0 0 "[ . 1 . 2]" 1
204 2 68 VAL HA 2 71 LEU HB2 3.200 . 4.400 3.095 2.789 4.660 0.260 1 0 "[ . 1 . 2]" 1
205 2 68 VAL HA 2 71 LEU HG 3.700 . 5.400 3.484 2.837 5.234 . 0 0 "[ . 1 . 2]" 1
206 2 67 GLN QB 2 67 GLN HG3 2.400 . 3.100 2.306 2.151 2.383 . 0 0 "[ . 1 . 2]" 1
207 2 62 GLN HA 2 62 GLN QG 2.800 . 3.700 2.638 2.351 3.335 . 0 0 "[ . 1 . 2]" 1
208 2 22 ASN HA 2 25 GLN QG 3.500 . 5.000 4.098 3.565 4.569 . 0 0 "[ . 1 . 2]" 1
209 2 84 GLN HA 2 84 GLN HG2 3.000 . 4.100 3.014 2.453 4.229 0.129 17 0 "[ . 1 . 2]" 1
210 2 81 GLU HA 2 84 GLN HG3 3.300 . 4.700 3.012 2.422 3.958 . 0 0 "[ . 1 . 2]" 1
211 2 81 GLU HA 2 84 GLN HG2 3.800 . 5.600 3.388 1.975 4.560 0.025 12 0 "[ . 1 . 2]" 1
212 2 40 THR HA 2 40 THR MG 2.600 . 3.400 2.368 2.336 2.401 . 0 0 "[ . 1 . 2]" 1
213 2 40 THR HA 2 43 LYS QB 2.700 . 3.600 2.629 2.226 3.237 . 0 0 "[ . 1 . 2]" 1
214 2 37 ILE HA 2 37 ILE MG 2.500 . 3.300 2.406 2.363 2.441 . 0 0 "[ . 1 . 2]" 1
215 2 8 VAL HA 2 8 VAL MG2 2.700 . 3.600 2.420 2.400 2.446 . 0 0 "[ . 1 . 2]" 1
216 2 8 VAL HA 2 8 VAL MG1 2.600 . 3.500 2.357 2.330 2.372 . 0 0 "[ . 1 . 2]" 1
217 2 37 ILE HA 2 37 ILE HG12 2.700 . 3.600 2.562 2.502 2.615 . 0 0 "[ . 1 . 2]" 1
218 2 37 ILE HA 2 37 ILE MD 3.200 . 4.500 3.847 3.819 3.876 . 0 0 "[ . 1 . 2]" 1
219 1 10 ALA MB 2 14 ILE HA 2.500 . 3.000 2.269 1.922 2.522 . 0 0 "[ . 1 . 2]" 1
220 2 14 ILE HA 2 14 ILE HG13 3.000 . 4.100 3.008 2.884 3.767 . 0 0 "[ . 1 . 2]" 1
221 2 20 ILE HA 2 78 LEU QD 3.000 . 4.100 3.035 2.793 3.482 . 0 0 "[ . 1 . 2]" 1
222 2 20 ILE HA 2 20 ILE HG12 2.900 . 3.900 2.548 2.497 2.585 . 0 0 "[ . 1 . 2]" 1
223 2 37 ILE HA 2 37 ILE HB 2.600 . 3.400 2.666 2.630 2.701 . 0 0 "[ . 1 . 2]" 1
224 2 8 VAL HA 2 8 VAL HB 2.900 . 3.900 3.022 3.020 3.024 . 0 0 "[ . 1 . 2]" 1
225 2 30 ILE HA 2 30 ILE MD 2.500 . 3.300 2.091 2.011 2.152 . 0 0 "[ . 1 . 2]" 1
226 2 30 ILE HA 2 30 ILE HG12 2.800 . 3.800 3.146 3.037 3.231 . 0 0 "[ . 1 . 2]" 1
227 2 30 ILE HA 2 30 ILE HB 2.800 . 3.800 3.019 3.015 3.022 . 0 0 "[ . 1 . 2]" 1
228 2 87 PRO HA 2 87 PRO QG 3.200 . 4.400 3.301 2.967 3.516 . 0 0 "[ . 1 . 2]" 1
229 2 65 TYR HA 2 68 VAL HB 2.600 . 3.500 2.945 2.652 3.368 . 0 0 "[ . 1 . 2]" 1
230 2 61 GLU HA 2 61 GLU HB2 2.700 . 3.600 2.995 2.454 3.027 . 0 0 "[ . 1 . 2]" 1
231 2 34 PHE HA 2 37 ILE MD 2.400 . 3.100 2.299 1.841 2.990 . 0 0 "[ . 1 . 2]" 1
232 2 61 GLU HA 2 64 VAL MG2 3.100 . 4.300 3.267 2.075 4.092 . 0 0 "[ . 1 . 2]" 1
233 1 4 ILE MG 2 38 LEU HB2 4.600 . 6.000 3.612 3.299 4.174 . 0 0 "[ . 1 . 2]" 1
234 2 35 LEU HA 2 38 LEU HB3 4.400 . 6.000 4.741 4.325 5.025 . 0 0 "[ . 1 . 2]" 1
235 1 8 LEU QD 2 38 LEU HB3 3.600 . 5.200 2.216 1.801 3.272 0.199 20 0 "[ . 1 . 2]" 1
236 2 4 ASN HA 2 4 ASN HB2 2.800 . 3.800 2.799 2.431 3.028 . 0 0 "[ . 1 . 2]" 1
237 2 47 ASN HA 2 47 ASN HB3 2.800 . 3.800 2.758 2.457 3.027 . 0 0 "[ . 1 . 2]" 1
238 2 44 GLU HA 2 47 ASN HB3 3.000 . 4.100 3.648 2.554 4.737 0.637 14 5 "[ * . -* 1 * +. 2]" 1
239 2 56 THR HB 2 56 THR MG 2.300 . 3.000 2.133 2.131 2.134 . 0 0 "[ . 1 . 2]" 1
240 2 65 TYR HA 2 65 TYR HB3 3.000 . 4.200 3.023 2.991 3.028 . 0 0 "[ . 1 . 2]" 1
241 2 62 GLN HA 2 65 TYR HB2 3.500 . 5.000 3.624 3.322 3.906 . 0 0 "[ . 1 . 2]" 1
242 2 81 GLU HB3 2 81 GLU HG2 2.300 . 3.000 2.660 2.396 3.010 0.010 17 0 "[ . 1 . 2]" 1
243 2 30 ILE HB 2 30 ILE HG13 2.200 . 2.800 2.455 2.438 2.473 . 0 0 "[ . 1 . 2]" 1
244 2 30 ILE HB 2 30 ILE HG12 2.700 . 3.600 2.455 2.440 2.473 . 0 0 "[ . 1 . 2]" 1
245 2 72 PHE HB3 2 75 GLN HB3 3.700 . 5.400 3.683 2.486 4.501 . 0 0 "[ . 1 . 2]" 1
246 2 72 PHE HB3 2 79 LEU HB2 3.800 . 5.600 4.751 3.791 5.607 0.007 11 0 "[ . 1 . 2]" 1
247 2 72 PHE HB2 2 79 LEU QD 3.700 . 5.400 3.031 2.108 3.609 . 0 0 "[ . 1 . 2]" 1
248 2 72 PHE HB2 2 79 LEU HB2 3.400 . 4.800 4.052 3.145 4.819 0.019 10 0 "[ . 1 . 2]" 1
249 2 64 VAL HA 2 64 VAL HB 2.900 . 4.000 3.012 2.967 3.025 . 0 0 "[ . 1 . 2]" 1
250 2 64 VAL HA 2 67 GLN QB 2.700 . 3.600 3.067 2.797 3.426 . 0 0 "[ . 1 . 2]" 1
251 2 27 GLN HA 2 27 GLN HG3 2.900 . 3.900 3.188 2.439 3.788 . 0 0 "[ . 1 . 2]" 1
252 2 27 GLN HA 2 27 GLN HG2 3.100 . 4.300 3.043 2.442 3.714 . 0 0 "[ . 1 . 2]" 1
253 2 62 GLN HB2 2 62 GLN QG 2.300 . 3.000 2.308 2.155 2.351 . 0 0 "[ . 1 . 2]" 1
254 2 62 GLN HB3 2 62 GLN QG 2.400 . 3.100 2.314 2.163 2.403 . 0 0 "[ . 1 . 2]" 1
255 2 27 GLN HB2 2 27 GLN HG2 2.200 . 2.800 2.657 2.430 3.010 0.210 1 0 "[ . 1 . 2]" 1
256 2 67 GLN QB 2 67 GLN HG2 2.100 . 2.700 2.339 2.130 2.413 . 0 0 "[ . 1 . 2]" 1
257 2 27 GLN HG3 2 30 ILE HG13 3.700 . 5.400 4.574 3.450 5.611 0.211 12 0 "[ . 1 . 2]" 1
258 2 27 GLN HG2 2 30 ILE HG13 3.900 . 5.800 4.782 2.964 5.641 . 0 0 "[ . 1 . 2]" 1
259 2 27 GLN HG3 2 30 ILE MD 3.400 . 4.800 4.788 3.445 5.538 0.738 11 1 "[ . 1+ . 2]" 1
260 1 8 LEU QD 2 42 GLN HG3 3.500 . 5.000 3.760 2.218 4.507 . 0 0 "[ . 1 . 2]" 1
261 1 8 LEU QD 2 42 GLN HG2 3.500 . 5.000 3.986 2.725 4.807 . 0 0 "[ . 1 . 2]" 1
262 2 28 PRO HA 2 28 PRO HB3 2.300 . 3.000 2.300 2.287 2.311 . 0 0 "[ . 1 . 2]" 1
263 2 28 PRO HA 2 31 TYR HB3 3.100 . 4.300 3.039 2.827 3.367 . 0 0 "[ . 1 . 2]" 1
264 2 8 VAL HA 2 11 ASN HB3 3.500 . 5.000 3.510 2.643 5.013 0.013 10 0 "[ . 1 . 2]" 1
265 2 8 VAL HA 2 11 ASN HB2 4.000 . 6.000 3.554 3.098 4.256 . 0 0 "[ . 1 . 2]" 1
266 2 37 ILE HA 2 40 THR HB 2.800 . 3.800 3.279 3.008 3.609 . 0 0 "[ . 1 . 2]" 1
267 2 6 GLN HA 2 6 GLN HG3 3.400 . 4.800 3.103 2.341 3.782 . 0 0 "[ . 1 . 2]" 1
268 2 57 PRO HB3 2 57 PRO QD 3.500 . 5.000 3.235 2.858 3.537 . 0 0 "[ . 1 . 2]" 1
269 2 29 ASP HA 2 32 LYS QB 2.400 . 3.100 2.837 2.554 3.017 . 0 0 "[ . 1 . 2]" 1
270 2 49 LYS HA 2 49 LYS QB 2.300 . 3.000 2.363 2.177 2.492 . 0 0 "[ . 1 . 2]" 1
271 2 87 PRO HB3 2 87 PRO QG 2.000 . 2.500 2.223 2.181 2.254 . 0 0 "[ . 1 . 2]" 1
272 2 57 PRO HB2 2 57 PRO HG2 2.000 . 2.500 2.313 2.280 2.331 . 0 0 "[ . 1 . 2]" 1
273 2 32 LYS QB 2 32 LYS QD 2.200 . 2.800 2.266 2.124 2.664 . 0 0 "[ . 1 . 2]" 1
274 2 32 LYS QB 2 32 LYS HG3 2.000 . 2.500 2.299 2.162 2.371 . 0 0 "[ . 1 . 2]" 1
275 2 7 PRO HA 2 7 PRO HB3 2.300 . 3.000 2.306 2.264 2.328 . 0 0 "[ . 1 . 2]" 1
276 2 87 PRO HA 2 87 PRO HB3 2.200 . 2.800 2.298 2.276 2.323 . 0 0 "[ . 1 . 2]" 1
277 2 87 PRO HB3 2 87 PRO QD 3.200 . 4.500 3.162 2.846 3.530 . 0 0 "[ . 1 . 2]" 1
278 2 87 PRO HB2 2 87 PRO QD 3.800 . 5.600 3.275 2.854 3.556 . 0 0 "[ . 1 . 2]" 1
279 2 18 ASN HA 2 21 LYS HB2 3.300 . 4.700 3.459 3.255 3.647 . 0 0 "[ . 1 . 2]" 1
280 2 19 LYS HB3 2 19 LYS HG2 2.900 . 3.900 2.448 2.404 2.508 . 0 0 "[ . 1 . 2]" 1
281 2 8 VAL HB 2 8 VAL MG1 2.400 . 3.100 2.128 2.127 2.130 . 0 0 "[ . 1 . 2]" 1
282 2 8 VAL HB 2 8 VAL MG2 2.300 . 3.000 2.129 2.128 2.131 . 0 0 "[ . 1 . 2]" 1
283 2 19 LYS QB 2 78 LEU QD 3.400 . 4.900 3.834 2.916 4.423 . 0 0 "[ . 1 . 2]" 1
284 2 7 PRO HA 2 10 PHE HB2 3.500 . 5.000 3.937 3.006 5.077 0.077 14 0 "[ . 1 . 2]" 1
285 2 87 PRO HA 2 87 PRO QD 3.600 . 5.200 3.435 3.319 3.497 . 0 0 "[ . 1 . 2]" 1
286 2 28 PRO HB3 2 28 PRO HD2 4.000 . 6.000 3.870 3.861 3.875 . 0 0 "[ . 1 . 2]" 1
287 2 73 LYS HA 2 73 LYS HB2 2.400 . 3.100 2.526 2.437 2.989 . 0 0 "[ . 1 . 2]" 1
288 2 73 LYS HB3 2 73 LYS QG 2.400 . 3.100 2.311 2.166 2.382 . 0 0 "[ . 1 . 2]" 1
289 2 64 VAL HB 2 64 VAL MG1 2.200 . 2.800 2.129 2.122 2.134 . 0 0 "[ . 1 . 2]" 1
290 2 64 VAL HB 2 64 VAL MG2 2.300 . 2.900 2.126 2.117 2.130 . 0 0 "[ . 1 . 2]" 1
291 2 17 VAL HB 2 17 VAL MG2 2.300 . 3.000 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
292 2 17 VAL HB 2 17 VAL MG1 2.300 . 3.000 2.129 2.127 2.130 . 0 0 "[ . 1 . 2]" 1
293 2 75 GLN HB3 2 75 GLN HG2 2.800 . 3.800 2.950 2.377 3.012 . 0 0 "[ . 1 . 2]" 1
294 2 75 GLN HB2 2 75 GLN HG2 2.800 . 3.800 2.485 2.428 3.009 . 0 0 "[ . 1 . 2]" 1
295 2 75 GLN HB2 2 75 GLN HG3 2.800 . 3.800 2.434 2.348 3.004 . 0 0 "[ . 1 . 2]" 1
296 2 75 GLN HB3 2 75 GLN HG3 2.900 . 4.000 2.479 2.420 3.010 . 0 0 "[ . 1 . 2]" 1
297 2 28 PRO HB3 2 28 PRO HG2 2.600 . 3.400 2.994 2.992 2.997 . 0 0 "[ . 1 . 2]" 1
298 2 61 GLU HA 2 64 VAL HB 2.700 . 3.600 3.036 2.775 3.389 . 0 0 "[ . 1 . 2]" 1
299 2 65 TYR HA 2 65 TYR HB2 2.600 . 3.500 2.497 2.446 2.621 . 0 0 "[ . 1 . 2]" 1
300 2 65 TYR HA 2 68 VAL QG 3.300 . 4.700 3.316 3.085 3.901 . 0 0 "[ . 1 . 2]" 1
301 2 44 GLU QB 2 57 PRO HA 3.200 . 4.500 3.576 2.474 4.350 . 0 0 "[ . 1 . 2]" 1
302 2 57 PRO HA 2 57 PRO HB3 2.300 . 3.000 2.289 2.260 2.317 . 0 0 "[ . 1 . 2]" 1
303 2 80 SER HA 2 80 SER QB 2.000 . 2.500 2.347 2.191 2.385 . 0 0 "[ . 1 . 2]" 1
304 2 14 ILE HA 2 17 VAL HB 3.200 . 4.500 3.045 2.890 3.514 . 0 0 "[ . 1 . 2]" 1
305 2 68 VAL HA 2 68 VAL HB 3.000 . 4.100 3.023 3.019 3.026 . 0 0 "[ . 1 . 2]" 1
306 2 27 GLN HB3 2 27 GLN HG3 2.100 . 2.700 2.656 2.422 3.011 0.311 11 0 "[ . 1 . 2]" 1
307 2 27 GLN HB3 2 30 ILE HG13 4.300 . 6.000 3.408 2.767 3.807 . 0 0 "[ . 1 . 2]" 1
308 1 10 ALA MB 2 17 VAL HB 3.200 . 4.000 3.542 3.165 3.835 . 0 0 "[ . 1 . 2]" 1
309 2 19 LYS HB3 2 19 LYS QD 2.300 . 3.000 2.412 2.255 2.985 . 0 0 "[ . 1 . 2]" 1
310 2 27 GLN HB2 2 27 GLN HG3 2.200 . 6.000 2.561 2.353 3.009 . 0 0 "[ . 1 . 2]" 1
311 2 70 ARG QB 2 70 ARG QD 2.600 . 3.400 2.357 2.124 2.812 . 0 0 "[ . 1 . 2]" 1
312 2 19 LYS QD 2 78 LEU QD 2.800 . 3.800 2.823 2.058 3.687 . 0 0 "[ . 1 . 2]" 1
313 2 63 GLU HA 2 63 GLU HB3 2.800 . 3.800 2.863 2.469 3.026 . 0 0 "[ . 1 . 2]" 1
314 2 59 LEU QD 2 63 GLU HB3 3.200 . 4.500 2.764 1.992 3.760 . 0 0 "[ . 1 . 2]" 1
315 2 41 TYR HA 2 41 TYR HB2 2.600 . 3.500 2.450 2.405 2.517 . 0 0 "[ . 1 . 2]" 1
316 2 41 TYR HA 2 44 GLU QB 3.300 . 4.700 3.183 2.708 4.032 . 0 0 "[ . 1 . 2]" 1
317 2 61 GLU HA 2 61 GLU HG2 2.600 . 3.400 2.770 2.468 3.681 0.281 16 0 "[ . 1 . 2]" 1
318 2 61 GLU HA 2 61 GLU HG3 3.100 . 4.300 2.970 2.451 3.188 . 0 0 "[ . 1 . 2]" 1
319 2 47 ASN HA 2 50 GLU HB3 3.100 . 4.300 3.049 2.306 4.255 . 0 0 "[ . 1 . 2]" 1
320 2 43 LYS HA 2 46 ARG QB 2.700 . 3.600 2.992 2.616 3.473 . 0 0 "[ . 1 . 2]" 1
321 2 76 GLU HA 2 76 GLU QB 2.200 . 2.800 2.308 2.179 2.400 . 0 0 "[ . 1 . 2]" 1
322 2 46 ARG HB2 2 46 ARG HD2 2.700 . 3.600 2.404 2.163 2.871 . 0 0 "[ . 1 . 2]" 1
323 2 44 GLU QB 2 44 GLU HG3 2.200 . 2.800 2.206 2.159 2.449 . 0 0 "[ . 1 . 2]" 1
324 2 6 GLN QB 2 6 GLN HG2 1.800 . 2.200 2.296 2.149 2.387 0.187 3 0 "[ . 1 . 2]" 1
325 2 43 LYS HB3 2 43 LYS QD 2.200 . 2.800 2.479 2.240 2.878 0.078 2 0 "[ . 1 . 2]" 1
326 2 46 ARG QB 2 46 ARG HG3 2.000 . 2.500 2.332 2.305 2.367 . 0 0 "[ . 1 . 2]" 1
327 2 73 LYS QD 2 73 LYS QG 2.100 . 2.600 2.046 2.011 2.092 . 0 0 "[ . 1 . 2]" 1
328 1 14 LEU QD 2 21 LYS QD 3.100 . 4.000 3.661 3.017 3.974 . 0 0 "[ . 1 . 2]" 1
329 2 21 LYS HB3 2 21 LYS QD 2.600 . 3.400 2.446 2.381 2.974 . 0 0 "[ . 1 . 2]" 1
330 2 6 GLN HA 2 6 GLN QB 3.200 . 4.500 2.336 2.177 2.491 . 0 0 "[ . 1 . 2]" 1
331 2 42 GLN HA 2 42 GLN QB 2.400 . 3.100 2.372 2.336 2.488 . 0 0 "[ . 1 . 2]" 1
332 2 6 GLN QB 2 6 GLN HG3 2.100 . 2.700 2.341 2.156 2.409 . 0 0 "[ . 1 . 2]" 1
333 2 37 ILE MD 2 37 ILE HG13 2.300 . 3.000 2.121 2.119 2.122 . 0 0 "[ . 1 . 2]" 1
334 2 37 ILE HG12 2 37 ILE MG 2.400 . 3.100 2.363 2.323 2.394 . 0 0 "[ . 1 . 2]" 1
335 1 8 LEU QD 2 42 GLN QB 2.800 . 3.800 2.654 2.079 3.581 . 0 0 "[ . 1 . 2]" 1
336 2 37 ILE HA 2 37 ILE HG13 3.000 . 4.100 2.965 2.893 3.041 . 0 0 "[ . 1 . 2]" 1
337 2 25 GLN HB2 2 25 GLN QG 2.100 . 2.600 2.318 2.133 2.389 . 0 0 "[ . 1 . 2]" 1
338 2 25 GLN HB3 2 25 GLN QG 2.100 . 2.600 2.308 2.159 2.491 . 0 0 "[ . 1 . 2]" 1
339 2 61 GLU HB2 2 61 GLU HG2 2.500 . 3.300 2.933 2.493 3.011 . 0 0 "[ . 1 . 2]" 1
340 2 61 GLU HB2 2 61 GLU HG3 2.300 . 3.000 2.533 2.411 3.007 0.007 19 0 "[ . 1 . 2]" 1
341 1 10 ALA MB 2 14 ILE HG13 2.800 . 3.800 2.695 2.454 3.942 0.142 14 0 "[ . 1 . 2]" 1
342 2 14 ILE HA 2 14 ILE HG12 2.800 . 3.800 2.477 2.378 2.880 . 0 0 "[ . 1 . 2]" 1
343 2 61 GLU HB3 2 86 LEU QD 3.400 . 4.900 2.881 1.948 4.712 0.052 8 0 "[ . 1 . 2]" 1
344 2 20 ILE HA 2 20 ILE HG13 3.300 . 4.700 3.023 2.937 3.084 . 0 0 "[ . 1 . 2]" 1
345 1 10 ALA HA 2 14 ILE HG12 3.700 . 5.400 3.188 2.606 4.342 . 0 0 "[ . 1 . 2]" 1
346 2 39 HIS HA 2 39 HIS HB3 3.000 . 4.100 2.722 2.498 2.973 . 0 0 "[ . 1 . 2]" 1
347 2 36 GLU HA 2 39 HIS HB2 2.900 . 3.900 2.538 2.281 2.911 . 0 0 "[ . 1 . 2]" 1
348 2 34 PHE HA 2 34 PHE HB2 2.600 . 3.400 2.462 2.431 2.505 . 0 0 "[ . 1 . 2]" 1
349 2 60 THR HA 2 60 THR MG 2.500 . 3.300 2.358 2.294 2.405 . 0 0 "[ . 1 . 2]" 1
350 2 16 TYR HA 2 19 LYS QB 2.500 . 3.300 2.670 2.486 2.867 . 0 0 "[ . 1 . 2]" 1
351 2 82 PHE HA 2 82 PHE HB3 2.800 . 3.800 3.026 3.024 3.029 . 0 0 "[ . 1 . 2]" 1
352 2 31 TYR HA 2 34 PHE HB3 3.100 . 4.300 3.180 2.861 3.428 . 0 0 "[ . 1 . 2]" 1
353 2 31 TYR HA 2 31 TYR QB 2.400 . 3.100 2.375 2.342 2.396 . 0 0 "[ . 1 . 2]" 1
354 2 16 TYR HA 2 16 TYR HB2 2.500 . 3.300 2.453 2.412 2.486 . 0 0 "[ . 1 . 2]" 1
355 2 76 GLU HA 2 76 GLU QG 2.700 . 3.600 2.905 2.393 3.486 . 0 0 "[ . 1 . 2]" 1
356 2 30 ILE H 2 30 ILE HG13 3.000 . 4.100 2.326 2.308 2.348 . 0 0 "[ . 1 . 2]" 1
357 2 33 ALA MB 2 34 PHE HA 3.700 . 5.400 3.786 3.752 3.840 . 0 0 "[ . 1 . 2]" 1
358 2 34 PHE HA 2 37 ILE HB 3.200 . 4.500 2.776 2.458 3.158 . 0 0 "[ . 1 . 2]" 1
359 2 20 ILE HG12 2 78 LEU QD 2.600 . 3.400 2.031 1.825 2.353 . 0 0 "[ . 1 . 2]" 1
360 2 21 LYS HA 2 21 LYS QG 2.600 . 3.400 2.422 2.380 2.449 . 0 0 "[ . 1 . 2]" 1
361 2 21 LYS HA 2 21 LYS HB2 2.500 . 3.300 2.478 2.463 2.500 . 0 0 "[ . 1 . 2]" 1
362 2 84 GLN QB 2 84 GLN HG3 2.400 . 3.100 2.315 2.156 2.491 . 0 0 "[ . 1 . 2]" 1
363 2 84 GLN QB 2 84 GLN HG2 2.500 . 3.300 2.330 2.132 2.401 . 0 0 "[ . 1 . 2]" 1
364 2 27 GLN HB3 2 30 ILE HG13 3.200 . 4.500 3.295 2.589 3.738 . 0 0 "[ . 1 . 2]" 1
365 2 27 GLN HB3 2 30 ILE HG12 3.600 . 5.200 2.332 1.983 2.721 0.017 5 0 "[ . 1 . 2]" 1
366 2 28 PRO HB3 2 28 PRO QG 2.300 . 2.900 2.250 2.246 2.254 . 0 0 "[ . 1 . 2]" 1
367 2 70 ARG QD 2 70 ARG HG3 2.600 . 3.400 2.301 2.173 2.362 . 0 0 "[ . 1 . 2]" 1
368 2 11 ASN HA 2 14 ILE HG13 3.600 . 5.200 3.725 2.232 4.283 . 0 0 "[ . 1 . 2]" 1
369 2 30 ILE HA 2 30 ILE HG13 3.500 . 5.000 3.768 3.731 3.816 . 0 0 "[ . 1 . 2]" 1
370 2 61 GLU HA 2 61 GLU HB3 2.800 . 3.800 2.497 2.435 3.024 . 0 0 "[ . 1 . 2]" 1
371 2 22 ASN HA 2 25 GLN HB2 3.000 . 4.100 2.591 2.267 2.898 . 0 0 "[ . 1 . 2]" 1
372 2 22 ASN HA 2 25 GLN HB3 3.700 . 5.400 4.165 3.716 4.625 . 0 0 "[ . 1 . 2]" 1
373 2 62 GLN HA 2 62 GLN HB3 2.400 . 3.100 2.777 2.406 3.026 . 0 0 "[ . 1 . 2]" 1
374 1 8 LEU QD 2 39 HIS HA 3.300 . 3.800 2.827 2.334 3.251 . 0 0 "[ . 1 . 2]" 1
375 2 19 LYS HA 2 19 LYS HG2 3.300 . 4.600 3.116 2.990 3.248 . 0 0 "[ . 1 . 2]" 1
376 2 32 LYS HA 2 32 LYS QB 2.300 . 3.000 2.376 2.338 2.459 . 0 0 "[ . 1 . 2]" 1
377 2 21 LYS HA 2 21 LYS HB3 3.000 . 4.100 3.022 3.021 3.023 . 0 0 "[ . 1 . 2]" 1
378 2 76 GLU HA 2 79 LEU HB2 2.400 . 3.100 2.973 2.611 3.167 0.067 6 0 "[ . 1 . 2]" 1
379 2 19 LYS HA 2 22 ASN HB2 3.200 . 4.500 3.708 2.835 4.307 . 0 0 "[ . 1 . 2]" 1
380 2 19 LYS HA 2 22 ASN HB3 2.800 . 3.700 3.298 2.813 4.511 0.811 6 4 "[ .+ 1 - **]" 1
381 2 39 HIS HA 2 42 GLN QB 2.600 . 3.500 2.975 2.596 3.492 . 0 0 "[ . 1 . 2]" 1
382 2 39 HIS HA 2 39 HIS HB2 2.800 . 3.800 2.911 2.682 3.025 . 0 0 "[ . 1 . 2]" 1
383 2 36 GLU HA 2 39 HIS HB3 3.300 . 4.700 3.716 2.870 4.282 . 0 0 "[ . 1 . 2]" 1
384 2 62 GLN HA 2 62 GLN HB2 2.400 . 3.100 2.691 2.429 3.026 . 0 0 "[ . 1 . 2]" 1
385 2 9 GLU HA 2 9 GLU QB 2.400 . 3.100 2.386 2.356 2.423 . 0 0 "[ . 1 . 2]" 1
386 2 9 GLU HA 2 9 GLU HG2 2.400 . 3.100 3.036 2.486 3.679 0.579 20 7 "[ . *** - **+]" 1
387 2 32 LYS HA 2 35 LEU MD1 2.800 . 3.800 2.739 2.155 3.521 . 0 0 "[ . 1 . 2]" 1
388 2 32 LYS HA 2 32 LYS HG2 3.100 . 4.300 2.976 2.449 3.805 . 0 0 "[ . 1 . 2]" 1
389 2 32 LYS HA 2 32 LYS QD 2.900 . 4.000 2.503 1.881 3.030 . 0 0 "[ . 1 . 2]" 1
390 2 67 GLN HA 2 67 GLN HG2 2.400 . 3.100 2.665 2.490 3.652 0.552 14 1 "[ . 1 +. 2]" 1
391 2 25 GLN HA 2 25 GLN QG 2.700 . 3.600 2.569 2.348 3.013 . 0 0 "[ . 1 . 2]" 1
392 2 25 GLN HA 2 25 GLN HB3 2.600 . 3.400 3.024 3.018 3.026 . 0 0 "[ . 1 . 2]" 1
393 2 36 GLU HA 2 36 GLU QG 2.700 . 3.600 2.717 2.363 3.001 . 0 0 "[ . 1 . 2]" 1
394 2 70 ARG HA 2 70 ARG HG3 3.100 . 4.300 2.874 2.514 3.642 . 0 0 "[ . 1 . 2]" 1
395 2 57 PRO QD 2 57 PRO HG3 2.600 . 3.400 2.213 2.177 2.248 . 0 0 "[ . 1 . 2]" 1
396 2 43 LYS HA 2 43 LYS HB2 1.900 . 2.400 2.585 2.415 3.021 0.621 17 5 "[ - * * 1 * + 2]" 1
397 2 32 LYS HA 2 35 LEU HB3 3.800 . 5.600 4.457 4.124 4.929 . 0 0 "[ . 1 . 2]" 1
398 2 32 LYS HA 2 35 LEU HG 3.300 . 4.600 3.693 3.207 4.328 . 0 0 "[ . 1 . 2]" 1
399 2 43 LYS HA 2 43 LYS HG2 3.100 . 4.300 2.975 2.357 3.207 . 0 0 "[ . 1 . 2]" 1
400 2 43 LYS HA 2 43 LYS HG3 2.500 . 3.300 2.767 2.516 3.553 0.253 13 0 "[ . 1 . 2]" 1
401 2 43 LYS HA 2 43 LYS QD 3.400 . 4.800 4.029 3.336 4.275 . 0 0 "[ . 1 . 2]" 1
402 2 67 GLN HA 2 67 GLN QB 2.300 . 3.000 2.371 2.332 2.448 . 0 0 "[ . 1 . 2]" 1
403 2 9 GLU HA 2 9 GLU HG3 2.700 . 3.600 2.984 2.400 3.684 0.084 17 0 "[ . 1 . 2]" 1
404 2 63 GLU HA 2 63 GLU HB3 2.200 . 2.800 2.455 2.165 2.690 . 0 0 "[ . 1 . 2]" 1
405 2 63 GLU HA 2 63 GLU HB2 2.400 . 3.100 2.659 2.453 3.023 . 0 0 "[ . 1 . 2]" 1
406 2 23 ARG HB3 2 23 ARG QG 3.200 . 4.500 2.278 2.162 2.408 . 0 0 "[ . 1 . 2]" 1
407 2 23 ARG HB2 2 23 ARG QG 3.100 . 4.100 2.253 2.158 2.390 . 0 0 "[ . 1 . 2]" 1
408 2 59 LEU HA 2 59 LEU HG 3.200 . 4.500 3.133 2.392 3.702 . 0 0 "[ . 1 . 2]" 1
409 2 46 ARG HA 2 46 ARG HG3 2.800 . 3.800 2.618 2.501 3.005 . 0 0 "[ . 1 . 2]" 1
410 2 2 LEU HA 2 2 LEU HG 3.700 . 5.400 3.041 2.403 3.713 . 0 0 "[ . 1 . 2]" 1
411 2 56 THR HA 2 57 PRO QD 2.200 . 2.800 1.962 1.777 2.172 . 0 0 "[ . 1 . 2]" 1
412 2 56 THR HA 2 57 PRO HD3 2.100 . 2.700 2.332 1.797 2.811 0.111 3 0 "[ . 1 . 2]" 1
413 2 56 THR HA 2 56 THR HB 2.700 . 3.600 2.374 2.347 2.420 . 0 0 "[ . 1 . 2]" 1
414 2 73 LYS HA 2 73 LYS QG 2.500 . 3.300 2.609 2.402 3.335 0.035 6 0 "[ . 1 . 2]" 1
415 2 45 GLN HA 2 45 GLN HB3 2.300 . 3.000 2.823 2.483 3.026 0.026 7 0 "[ . 1 . 2]" 1
416 2 42 GLN HA 2 42 GLN HG2 3.000 . 4.100 3.088 2.404 3.764 . 0 0 "[ . 1 . 2]" 1
417 2 42 GLN HA 2 42 GLN HG3 3.000 . 4.100 2.961 2.563 3.740 . 0 0 "[ . 1 . 2]" 1
418 2 67 GLN HA 2 67 GLN HG3 3.000 . 4.100 3.176 2.955 3.813 . 0 0 "[ . 1 . 2]" 1
419 2 44 GLU HA 2 44 GLU QB 2.400 . 3.100 2.380 2.178 2.470 . 0 0 "[ . 1 . 2]" 1
420 2 44 GLU HA 2 44 GLU HG3 3.000 . 4.100 3.540 2.521 3.776 . 0 0 "[ . 1 . 2]" 1
421 2 81 GLU HA 2 81 GLU HG3 2.700 . 3.600 3.193 2.392 3.774 0.174 18 0 "[ . 1 . 2]" 1
422 2 73 LYS HA 2 73 LYS HB3 2.300 . 2.900 2.952 2.418 3.026 0.126 13 0 "[ . 1 . 2]" 1
423 2 69 ALA MB 2 70 ARG HA 3.600 . 5.200 3.836 3.797 3.876 . 0 0 "[ . 1 . 2]" 1
424 2 45 GLN HA 2 45 GLN HB2 2.300 . 2.900 2.358 2.144 2.668 . 0 0 "[ . 1 . 2]" 1
425 2 12 HIS HA 2 12 HIS HB3 3.000 . 4.200 2.835 2.500 3.029 . 0 0 "[ . 1 . 2]" 1
426 2 12 HIS HA 2 12 HIS HB2 2.700 . 3.600 2.699 2.472 3.024 . 0 0 "[ . 1 . 2]" 1
427 2 79 LEU HA 2 82 PHE HB3 3.200 . 4.500 2.629 2.252 3.241 . 0 0 "[ . 1 . 2]" 1
428 2 38 LEU HA 2 41 TYR HB3 2.900 . 4.000 2.626 2.449 2.867 . 0 0 "[ . 1 . 2]" 1
429 2 55 TYR HA 2 55 TYR HB3 2.700 . 3.600 3.026 3.020 3.029 . 0 0 "[ . 1 . 2]" 1
430 2 12 HIS HA 2 15 ASN HB3 3.300 . 4.700 3.081 2.419 4.434 . 0 0 "[ . 1 . 2]" 1
431 2 79 LEU HA 2 79 LEU HB3 2.900 . 3.900 2.843 2.538 3.019 . 0 0 "[ . 1 . 2]" 1
432 2 79 LEU HA 2 79 LEU HG 3.100 . 4.300 2.990 2.624 3.656 . 0 0 "[ . 1 . 2]" 1
433 2 79 LEU HA 2 79 LEU HB2 2.700 . 3.600 2.747 2.503 3.015 . 0 0 "[ . 1 . 2]" 1
434 2 50 GLU HA 2 50 GLU HG3 3.000 . 4.200 2.999 2.502 3.736 . 0 0 "[ . 1 . 2]" 1
435 2 50 GLU HA 2 50 GLU HB3 2.600 . 3.400 2.922 2.499 3.026 . 0 0 "[ . 1 . 2]" 1
436 2 50 GLU HA 2 50 GLU HB2 2.400 . 3.100 2.593 2.446 3.021 . 0 0 "[ . 1 . 2]" 1
437 2 49 LYS HA 2 49 LYS HG3 3.100 . 4.300 3.243 2.555 3.788 . 0 0 "[ . 1 . 2]" 1
438 2 45 GLN HA 2 48 ALA MB 2.700 . 3.600 2.761 2.468 3.077 . 0 0 "[ . 1 . 2]" 1
439 2 38 LEU HA 2 38 LEU HB2 3.000 . 4.100 3.011 2.998 3.018 . 0 0 "[ . 1 . 2]" 1
440 2 79 LEU HA 2 79 LEU QD 2.500 . 3.300 1.932 1.807 2.111 0.093 11 0 "[ . 1 . 2]" 1
441 2 14 ILE MG 2 15 ASN HA 3.200 . 4.500 3.306 3.089 3.506 . 0 0 "[ . 1 . 2]" 1
442 2 68 VAL QG 2 79 LEU HA 3.700 . 5.400 3.540 3.225 4.900 . 0 0 "[ . 1 . 2]" 1
443 2 38 LEU HA 2 38 LEU HG 3.200 . 4.500 3.195 2.310 3.528 . 0 0 "[ . 1 . 2]" 1
444 2 35 LEU HA 2 35 LEU HG 3.100 . 4.300 3.090 3.021 3.142 . 0 0 "[ . 1 . 2]" 1
445 2 35 LEU HA 2 35 LEU MD2 2.300 . 2.900 2.003 1.959 2.072 . 0 0 "[ . 1 . 2]" 1
446 2 35 LEU HA 2 38 LEU QD 3.400 . 4.800 2.984 2.312 3.480 . 0 0 "[ . 1 . 2]" 1
447 2 1 SER HA 2 1 SER HB2 2.200 . 2.800 2.718 2.449 3.031 0.231 16 0 "[ . 1 . 2]" 1
448 2 78 LEU QD 2 78 LEU HG 2.000 . 2.500 1.894 1.891 1.895 . 0 0 "[ . 1 . 2]" 1
449 2 71 LEU QD 2 71 LEU HG 2.600 . 3.000 1.895 1.892 1.896 0.008 15 0 "[ . 1 . 2]" 1
450 2 35 LEU QD 2 35 LEU HG 2.100 . 2.700 1.895 1.895 1.896 . 0 0 "[ . 1 . 2]" 1
451 2 20 ILE HG13 2 78 LEU QD 3.600 . 5.200 3.099 2.318 3.498 . 0 0 "[ . 1 . 2]" 1
452 2 78 LEU HA 2 78 LEU QD . . 3.000 2.266 1.869 2.413 0.131 2 0 "[ . 1 . 2]" 1
453 2 75 GLN HB2 2 78 LEU QD 3.000 . 4.100 3.023 2.252 3.925 . 0 0 "[ . 1 . 2]" 1
454 2 86 LEU HA 2 86 LEU QD 3.400 . 3.400 2.060 1.997 2.131 0.003 16 0 "[ . 1 . 2]" 1
455 2 40 THR HB 2 59 LEU QD 3.100 . 4.300 2.709 2.162 3.569 . 0 0 "[ . 1 . 2]" 1
456 2 41 TYR HA 2 59 LEU QD 3.100 . 4.300 2.677 1.947 3.797 . 0 0 "[ . 1 . 2]" 1
457 2 83 GLY HA2 2 86 LEU QD 3.500 . 5.100 2.457 2.017 3.225 . 0 0 "[ . 1 . 2]" 1
458 2 65 TYR HB2 2 86 LEU QD 3.500 . 5.100 3.441 2.909 4.410 . 0 0 "[ . 1 . 2]" 1
459 2 41 TYR HB2 2 59 LEU QD 3.500 . 5.000 2.795 2.105 3.807 . 0 0 "[ . 1 . 2]" 1
460 2 38 LEU HA 2 38 LEU QD 3.000 . 4.100 2.292 2.055 2.996 . 0 0 "[ . 1 . 2]" 1
461 2 38 LEU HB3 2 38 LEU QD 2.700 . 3.600 2.104 2.060 2.134 . 0 0 "[ . 1 . 2]" 1
462 2 38 LEU QD 2 38 LEU HG 2.100 . 2.600 1.893 1.889 1.895 . 0 0 "[ . 1 . 2]" 1
463 2 35 LEU HB3 2 35 LEU MD1 2.700 . 3.600 2.358 2.324 2.388 . 0 0 "[ . 1 . 2]" 1
464 1 11 ALA MB 2 35 LEU MD1 2.800 . 3.800 3.048 2.379 3.624 . 0 0 "[ . 1 . 2]" 1
465 2 35 LEU MD1 2 35 LEU HG 2.300 . 3.000 2.125 2.124 2.127 . 0 0 "[ . 1 . 2]" 1
466 2 86 LEU HB3 2 86 LEU QD 2.900 . 3.100 2.122 2.108 2.223 . 0 0 "[ . 1 . 2]" 1
467 2 40 THR MG 2 59 LEU QD 2.600 . 3.400 2.203 1.835 2.926 . 0 0 "[ . 1 . 2]" 1
468 2 19 LYS QB 2 19 LYS HG2 2.600 . 3.500 2.346 2.313 2.390 . 0 0 "[ . 1 . 2]" 1
469 2 19 LYS QD 2 19 LYS HG2 2.200 . 2.800 2.311 2.157 2.371 . 0 0 "[ . 1 . 2]" 1
470 2 32 LYS QB 2 32 LYS HG2 2.200 . 2.800 2.325 2.161 2.397 . 0 0 "[ . 1 . 2]" 1
471 2 35 LEU HB2 2 35 LEU MD1 2.600 . 3.500 2.346 2.320 2.372 . 0 0 "[ . 1 . 2]" 1
472 1 4 ILE MG 2 38 LEU QD 3.600 . 4.000 2.116 1.773 2.782 0.227 14 0 "[ . 1 . 2]" 1
473 2 71 LEU HA 2 71 LEU QD 2.300 . 3.000 2.108 1.998 2.921 0.002 11 0 "[ . 1 . 2]" 1
474 2 71 LEU HA 2 71 LEU HB2 2.700 . 3.600 2.978 2.220 3.022 . 0 0 "[ . 1 . 2]" 1
475 2 71 LEU HA 2 71 LEU HB3 2.600 . 3.500 2.506 2.467 2.832 . 0 0 "[ . 1 . 2]" 1
476 2 71 LEU HA 2 71 LEU HG 2.800 . 3.800 3.057 2.357 3.580 . 0 0 "[ . 1 . 2]" 1
477 2 84 GLN HA 2 84 GLN QB 2.300 . 3.000 2.326 2.173 2.411 . 0 0 "[ . 1 . 2]" 1
478 2 24 PHE HA 2 24 PHE HB3 2.600 . 3.400 2.504 2.468 2.529 . 0 0 "[ . 1 . 2]" 1
479 2 29 ASP HA 2 29 ASP HB2 2.400 . 3.100 2.780 2.452 3.027 . 0 0 "[ . 1 . 2]" 1
480 2 68 VAL QG 2 79 LEU QD 3.500 . 5.000 2.109 1.883 3.150 0.117 2 0 "[ . 1 . 2]" 1
481 2 21 LYS HB2 2 21 LYS QG 2.400 . 3.100 2.358 2.332 2.383 . 0 0 "[ . 1 . 2]" 1
482 2 21 LYS QD 2 21 LYS QG 2.200 . 2.800 2.088 2.010 2.093 . 0 0 "[ . 1 . 2]" 1
483 2 43 LYS HB3 2 43 LYS HG3 2.700 . 3.600 2.991 2.616 3.013 . 0 0 "[ . 1 . 2]" 1
484 2 43 LYS HB3 2 43 LYS HG2 2.300 . 3.000 2.465 2.403 2.979 . 0 0 "[ . 1 . 2]" 1
485 2 34 PHE HB2 2 71 LEU QD 2.900 . 3.900 3.437 2.711 3.800 . 0 0 "[ . 1 . 2]" 1
486 2 69 ALA HA 2 79 LEU QD 2.600 . 3.300 1.849 1.681 2.062 0.119 10 0 "[ . 1 . 2]" 1
487 2 2 LEU HA 2 2 LEU MD1 3.300 . 4.600 3.023 1.926 3.899 0.074 11 0 "[ . 1 . 2]" 1
488 2 34 PHE HA 2 71 LEU QD 3.300 . 4.700 3.157 2.631 3.412 . 0 0 "[ . 1 . 2]" 1
489 2 49 LYS HA 2 49 LYS HG2 3.200 . 4.500 2.860 2.327 3.796 . 0 0 "[ . 1 . 2]" 1
490 2 32 LYS HA 2 32 LYS HG3 3.700 . 5.400 3.089 2.399 3.768 . 0 0 "[ . 1 . 2]" 1
491 2 59 LEU HA 2 59 LEU MD1 2.600 . 3.500 2.602 1.933 3.867 0.367 11 0 "[ . 1 . 2]" 1
492 2 19 LYS QE 2 19 LYS HG2 3.100 . 4.300 2.761 2.380 3.523 . 0 0 "[ . 1 . 2]" 1
493 2 68 VAL QG 2 71 LEU QD 3.300 . 4.700 3.068 2.587 3.495 . 0 0 "[ . 1 . 2]" 1
494 2 23 ARG HA 2 23 ARG HB2 3.000 . 4.100 2.768 2.436 3.024 . 0 0 "[ . 1 . 2]" 1
495 2 23 ARG HA 2 23 ARG HB3 2.800 . 3.800 2.730 2.474 3.025 . 0 0 "[ . 1 . 2]" 1
496 1 7 LEU QD 2 13 ALA HA 3.000 . 4.000 2.593 2.266 4.018 0.018 5 0 "[ . 1 . 2]" 1
497 2 2 LEU HA 2 2 LEU QD 2.600 . 3.500 2.225 1.891 3.072 . 0 0 "[ . 1 . 2]" 1
498 2 3 GLN HA 2 3 GLN HB2 2.800 . 3.800 2.745 2.410 3.025 . 0 0 "[ . 1 . 2]" 1
499 2 3 GLN HA 2 3 GLN QG 3.000 . 4.100 2.723 2.374 3.477 . 0 0 "[ . 1 . 2]" 1
500 2 11 ASN HA 2 11 ASN HB2 2.400 . 3.100 2.603 2.431 3.029 . 0 0 "[ . 1 . 2]" 1
501 2 11 ASN HA 2 11 ASN HB3 2.500 . 3.300 2.894 2.452 3.029 . 0 0 "[ . 1 . 2]" 1
502 2 15 ASN HA 2 15 ASN HB3 2.800 . 3.800 2.896 2.448 3.027 . 0 0 "[ . 1 . 2]" 1
503 2 23 ARG HA 2 23 ARG HD2 2.600 . 3.400 2.751 2.059 3.828 0.428 7 0 "[ . 1 . 2]" 1
504 2 77 ASP HA 2 80 SER QB 2.800 . 3.800 2.826 2.523 3.479 . 0 0 "[ . 1 . 2]" 1
505 1 11 ALA HA 2 17 VAL MG1 3.100 . 4.000 2.292 1.870 2.652 0.030 5 0 "[ . 1 . 2]" 1
506 2 14 ILE HA 2 17 VAL MG1 3.400 . 4.800 4.407 4.250 4.803 0.003 14 0 "[ . 1 . 2]" 1
507 2 17 VAL HA 2 17 VAL MG1 2.400 . 3.100 2.387 2.340 2.421 . 0 0 "[ . 1 . 2]" 1
508 2 73 LYS HB2 2 73 LYS QG 2.300 . 2.900 2.326 2.160 2.379 . 0 0 "[ . 1 . 2]" 1
509 1 11 ALA MB 2 17 VAL MG1 2.900 . 4.000 2.293 2.001 2.805 . 0 0 "[ . 1 . 2]" 1
510 2 61 GLU HG3 2 86 LEU QD 4.000 . 6.000 3.994 2.462 4.900 . 0 0 "[ . 1 . 2]" 1
511 2 61 GLU HG2 2 86 LEU QD 3.800 . 5.600 3.036 2.097 3.652 . 0 0 "[ . 1 . 2]" 1
512 1 4 ILE HG13 2 86 LEU QD 3.000 . 4.100 3.536 2.464 4.313 0.213 13 0 "[ . 1 . 2]" 1
513 1 7 LEU QD 2 17 VAL MG1 2.800 . 6.000 4.433 3.420 4.783 . 0 0 "[ . 1 . 2]" 1
514 2 23 ARG QG 2 78 LEU QD 3.000 . 4.100 3.369 2.756 3.836 . 0 0 "[ . 1 . 2]" 1
515 2 2 LEU HA 2 2 LEU MD2 2.700 . 3.600 2.952 1.992 3.909 0.309 16 0 "[ . 1 . 2]" 1
516 2 64 VAL HA 2 64 VAL MG2 2.600 . 3.400 2.321 2.188 2.593 . 0 0 "[ . 1 . 2]" 1
517 1 7 LEU HA 2 17 VAL MG2 3.800 . 4.000 3.047 2.719 3.592 . 0 0 "[ . 1 . 2]" 1
518 2 14 ILE HA 2 17 VAL MG2 3.800 . 5.600 3.425 3.060 3.968 . 0 0 "[ . 1 . 2]" 1
519 2 41 TYR HB2 2 64 VAL MG2 2.900 . 3.900 2.626 2.231 3.404 . 0 0 "[ . 1 . 2]" 1
520 1 11 ALA MB 2 17 VAL MG2 2.600 . 3.400 2.722 2.342 3.100 . 0 0 "[ . 1 . 2]" 1
521 2 79 LEU HB2 2 79 LEU QD 2.500 . 3.300 2.185 2.113 2.300 . 0 0 "[ . 1 . 2]" 1
522 2 69 ALA MB 2 79 LEU QD 2.500 . 3.300 2.023 1.742 2.550 0.058 12 0 "[ . 1 . 2]" 1
523 2 16 TYR QD 2 17 VAL MG2 2.500 . 3.300 2.846 2.454 3.113 . 0 0 "[ . 1 . 2]" 1
524 1 7 LEU QD 2 17 VAL MG2 3.300 . 4.000 2.519 1.871 2.811 0.029 5 0 "[ . 1 . 2]" 1
525 2 13 ALA HA 2 16 TYR HB2 3.200 . 4.500 3.735 3.292 4.112 . 0 0 "[ . 1 . 2]" 1
526 2 18 ASN HA 2 18 ASN HB3 2.700 . 3.600 3.002 2.519 3.029 . 0 0 "[ . 1 . 2]" 1
527 2 2 LEU HA 2 2 LEU HB3 2.900 . 3.900 2.480 2.199 2.859 . 0 0 "[ . 1 . 2]" 1
528 2 18 ASN HA 2 21 LYS HB3 2.500 . 3.300 2.597 2.435 2.778 . 0 0 "[ . 1 . 2]" 1
529 2 23 ARG HA 2 23 ARG QG 3.600 . 4.900 2.903 2.751 2.998 . 0 0 "[ . 1 . 2]" 1
530 2 69 ALA HA 2 69 ALA MB 2.200 . 2.800 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
531 2 2 LEU HB3 2 2 LEU MD2 3.100 . 4.300 1.977 1.920 2.098 . 0 0 "[ . 1 . 2]" 1
532 2 2 LEU HB2 2 2 LEU MD2 3.200 . 4.500 2.775 2.334 3.203 . 0 0 "[ . 1 . 2]" 1
533 2 64 VAL MG2 2 68 VAL QG 2.800 . 3.800 3.688 2.190 4.178 0.378 13 0 "[ . 1 . 2]" 1
534 2 68 VAL MG1 2 68 VAL MG2 2.200 . 2.800 2.083 2.061 2.091 . 0 0 "[ . 1 . 2]" 1
535 2 17 VAL MG2 2 20 ILE MD 3.300 . 4.700 3.897 3.606 4.244 . 0 0 "[ . 1 . 2]" 1
536 2 33 ALA HA 2 33 ALA MB 2.100 . 2.600 2.129 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
537 2 33 ALA HA 2 36 GLU QB 2.700 . 3.600 2.575 2.329 2.898 . 0 0 "[ . 1 . 2]" 1
538 2 48 ALA HA 2 55 TYR HB2 3.200 . 4.500 3.733 2.541 5.147 0.647 15 3 "[ . 1 + * -]" 1
539 2 47 ASN HA 2 47 ASN HB2 2.500 . 3.300 2.770 2.454 3.029 . 0 0 "[ . 1 . 2]" 1
540 2 47 ASN HA 2 50 GLU HB2 3.000 . 4.100 3.419 2.441 4.115 0.015 13 0 "[ . 1 . 2]" 1
541 2 59 LEU HA 2 59 LEU QD 2.600 . 3.400 2.203 1.857 3.012 . 0 0 "[ . 1 . 2]" 1
542 2 59 LEU HA 2 59 LEU HB3 2.800 . 3.800 2.539 2.205 2.875 . 0 0 "[ . 1 . 2]" 1
543 2 74 ASN HA 2 74 ASN QB 2.600 . 3.400 2.317 2.181 2.403 . 0 0 "[ . 1 . 2]" 1
544 2 48 ALA HA 2 55 TYR HB3 3.600 . 5.200 3.124 2.140 3.776 . 0 0 "[ . 1 . 2]" 1
545 2 6 GLN HA 2 7 PRO HD3 2.300 . 3.000 2.285 1.816 2.982 . 0 0 "[ . 1 . 2]" 1
546 2 6 GLN HA 2 7 PRO HD2 2.400 . 3.100 2.442 2.122 2.758 . 0 0 "[ . 1 . 2]" 1
547 2 6 GLN HA 2 6 GLN HG2 2.800 . 3.700 2.995 2.460 3.724 0.024 15 0 "[ . 1 . 2]" 1
548 2 27 GLN HA 2 27 GLN HB3 2.500 . 3.300 2.393 2.209 2.894 . 0 0 "[ . 1 . 2]" 1
549 2 27 GLN HA 2 28 PRO HD3 2.600 . 3.400 2.688 2.509 2.819 . 0 0 "[ . 1 . 2]" 1
550 2 60 THR HA 2 60 THR MG 2.000 . 2.500 1.984 1.963 1.997 . 0 0 "[ . 1 . 2]" 1
551 2 40 THR HB 2 40 THR MG 2.300 . 2.900 2.135 2.134 2.136 . 0 0 "[ . 1 . 2]" 1
552 2 40 THR MG 2 44 GLU HG3 3.400 . 4.900 3.241 2.425 4.725 . 0 0 "[ . 1 . 2]" 1
553 2 78 LEU MD1 2 78 LEU MD2 2.300 . 2.900 2.084 2.076 2.090 . 0 0 "[ . 1 . 2]" 1
554 2 20 ILE MD 2 78 LEU QD 3.900 . 5.800 2.633 2.278 2.956 . 0 0 "[ . 1 . 2]" 1
555 2 40 THR MG 2 59 LEU HB3 3.100 . 4.300 2.807 1.892 3.820 0.008 6 0 "[ . 1 . 2]" 1
556 2 40 THR MG 2 59 LEU HB2 2.900 . 4.000 3.223 2.197 3.913 . 0 0 "[ . 1 . 2]" 1
557 2 5 ASN HA 2 5 ASN HB3 2.800 . 3.800 2.696 2.394 3.028 . 0 0 "[ . 1 . 2]" 1
558 2 4 ASN HA 2 4 ASN HB3 2.600 . 3.400 2.689 2.435 3.028 . 0 0 "[ . 1 . 2]" 1
559 2 4 ASN HA 2 4 ASN QB 2.600 . 3.500 2.360 2.336 2.405 . 0 0 "[ . 1 . 2]" 1
560 2 35 LEU HB3 2 35 LEU MD2 3.400 . 4.800 2.376 2.348 2.402 . 0 0 "[ . 1 . 2]" 1
561 1 11 ALA MB 2 35 LEU MD2 2.400 . 3.100 2.277 1.981 2.434 . 0 0 "[ . 1 . 2]" 1
562 2 35 LEU MD2 2 35 LEU HG 2.400 . 3.100 2.129 2.128 2.130 . 0 0 "[ . 1 . 2]" 1
563 2 35 LEU HB2 2 35 LEU MD2 3.000 . 4.100 3.201 3.199 3.203 . 0 0 "[ . 1 . 2]" 1
564 2 54 ASN HA 2 54 ASN HB3 2.700 . 3.600 2.631 2.415 3.027 . 0 0 "[ . 1 . 2]" 1
565 2 51 ALA HA 2 51 ALA MB 2.200 . 2.800 2.128 2.127 2.130 . 0 0 "[ . 1 . 2]" 1
566 2 56 THR HA 2 56 THR MG 2.800 . 3.800 3.199 3.186 3.214 . 0 0 "[ . 1 . 2]" 1
567 2 56 THR MG 2 57 PRO QD 2.600 . 6.000 4.090 3.816 4.186 . 0 0 "[ . 1 . 2]" 1
568 2 61 GLU HA 2 64 VAL MG1 4.100 . 6.000 4.259 3.845 4.670 . 0 0 "[ . 1 . 2]" 1
569 2 38 LEU MD1 2 38 LEU MD2 2.100 . 2.600 2.080 2.066 2.092 . 0 0 "[ . 1 . 2]" 1
570 2 72 PHE HA 2 72 PHE HB3 2.600 . 3.500 2.445 2.372 2.574 . 0 0 "[ . 1 . 2]" 1
571 2 75 GLN HA 2 75 GLN HB3 2.700 . 3.600 2.508 2.426 3.022 . 0 0 "[ . 1 . 2]" 1
572 2 75 GLN HA 2 75 GLN HB2 2.800 . 3.800 2.996 2.502 3.025 . 0 0 "[ . 1 . 2]" 1
573 2 86 LEU HA 2 87 PRO QD 2.300 . 2.900 1.993 1.844 2.180 . 0 0 "[ . 1 . 2]" 1
574 2 86 LEU HA 2 86 LEU HB3 2.600 . 3.500 2.527 2.429 3.015 . 0 0 "[ . 1 . 2]" 1
575 2 86 LEU HA 2 86 LEU HB2 2.700 . 3.600 2.677 2.360 2.764 . 0 0 "[ . 1 . 2]" 1
576 2 86 LEU QD 2 89 ALA MB 3.100 . 4.300 3.903 2.276 4.317 0.017 4 0 "[ . 1 . 2]" 1
577 2 58 ALA HA 2 58 ALA MB 2.200 . 2.800 2.128 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
578 2 51 ALA MB 2 55 TYR HB3 3.200 . 4.500 3.384 2.229 4.299 . 0 0 "[ . 1 . 2]" 1
579 2 44 GLU HG2 2 58 ALA MB 3.500 . 5.000 4.574 3.377 5.312 0.312 5 0 "[ . 1 . 2]" 1
580 2 44 GLU QB 2 58 ALA MB 4.100 . 6.000 4.453 3.184 5.310 . 0 0 "[ . 1 . 2]" 1
581 2 56 THR HA 2 57 PRO HD2 2.200 . 2.800 2.360 1.866 2.803 0.003 13 0 "[ . 1 . 2]" 1
582 2 57 PRO HD3 2 57 PRO HG3 2.900 . 4.000 2.307 2.267 2.322 . 0 0 "[ . 1 . 2]" 1
583 2 57 PRO HD2 2 57 PRO HG3 2.500 . 3.300 2.863 2.681 2.998 . 0 0 "[ . 1 . 2]" 1
584 2 57 PRO HB2 2 57 PRO HD3 3.400 . 4.800 3.926 3.864 4.046 . 0 0 "[ . 1 . 2]" 1
585 2 48 ALA MB 2 57 PRO QD 3.400 . 4.800 3.322 2.611 4.165 . 0 0 "[ . 1 . 2]" 1
586 2 56 THR MG 2 57 PRO HD3 3.200 . 4.500 4.577 4.395 4.940 0.440 9 0 "[ . 1 . 2]" 1
587 2 56 THR MG 2 57 PRO HD2 3.000 . 6.000 4.637 4.136 4.976 . 0 0 "[ . 1 . 2]" 1
588 2 86 LEU QD 2 87 PRO HD2 3.200 . 4.500 2.632 2.003 2.999 . 0 0 "[ . 1 . 2]" 1
589 2 86 LEU HB3 2 87 PRO QD 3.000 . 4.200 2.626 1.951 4.102 . 0 0 "[ . 1 . 2]" 1
590 2 28 PRO HD3 2 28 PRO HG3 2.400 . 3.100 2.305 2.292 2.319 . 0 0 "[ . 1 . 2]" 1
591 2 28 PRO HD3 2 28 PRO HG2 2.700 . 3.600 2.984 2.970 2.994 . 0 0 "[ . 1 . 2]" 1
592 2 28 PRO HD2 2 28 PRO QG 2.400 . 3.100 2.184 2.181 2.187 . 0 0 "[ . 1 . 2]" 1
593 2 27 GLN HA 2 28 PRO HD2 2.500 . 3.300 2.025 1.953 2.110 . 0 0 "[ . 1 . 2]" 1
594 2 13 ALA HA 2 13 ALA MB 2.200 . 2.800 2.130 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
595 1 6 MET HG2 2 13 ALA MB 3.400 . 4.900 3.089 1.892 5.019 0.119 2 0 "[ . 1 . 2]" 1
596 1 6 MET HB2 2 13 ALA MB 3.300 . 4.700 3.321 1.935 4.267 . 0 0 "[ . 1 . 2]" 1
597 1 7 LEU QD 2 13 ALA MB 2.900 . 3.900 2.452 2.041 3.704 . 0 0 "[ . 1 . 2]" 1
598 2 86 LEU HB2 2 87 PRO HD2 3.700 . 5.400 3.528 2.148 3.985 . 0 0 "[ . 1 . 2]" 1
599 2 7 PRO HB3 2 7 PRO HD3 3.300 . 4.700 3.320 2.982 4.054 . 0 0 "[ . 1 . 2]" 1
600 2 28 PRO HB3 2 28 PRO HD3 3.400 . 4.800 2.976 2.936 3.031 . 0 0 "[ . 1 . 2]" 1
601 2 66 ALA HA 2 66 ALA MB 2.000 . 2.500 2.126 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
602 2 63 GLU HA 2 66 ALA MB 2.400 . 3.100 2.794 2.579 3.116 0.016 12 0 "[ . 1 . 2]" 1
603 2 48 ALA MB 2 57 PRO HD3 3.200 . 4.400 3.413 2.645 4.287 . 0 0 "[ . 1 . 2]" 1
604 2 33 ALA MB 2 71 LEU QD 2.300 . 2.900 2.207 1.901 2.812 . 0 0 "[ . 1 . 2]" 1
605 2 37 ILE MG 2 64 VAL HA 2.800 . 3.800 2.862 2.423 3.351 . 0 0 "[ . 1 . 2]" 1
606 2 20 ILE HA 2 20 ILE MG 2.500 . 3.300 2.392 2.369 2.442 . 0 0 "[ . 1 . 2]" 1
607 2 37 ILE MG 2 67 GLN QB 3.000 . 4.100 3.052 2.565 3.795 . 0 0 "[ . 1 . 2]" 1
608 2 37 ILE HB 2 37 ILE MG 2.100 . 2.600 2.128 2.126 2.129 . 0 0 "[ . 1 . 2]" 1
609 2 20 ILE HG12 2 20 ILE MG 2.700 . 3.600 2.380 2.361 2.398 . 0 0 "[ . 1 . 2]" 1
610 2 20 ILE MD 2 20 ILE MG 2.500 . 3.300 1.925 1.875 1.961 . 0 0 "[ . 1 . 2]" 1
611 2 66 ALA HA 2 69 ALA MB 2.400 . 3.100 2.771 2.556 3.148 0.048 12 0 "[ . 1 . 2]" 1
612 2 14 ILE HA 2 14 ILE MG 2.600 . 3.400 2.457 2.371 2.544 . 0 0 "[ . 1 . 2]" 1
613 2 14 ILE HG12 2 14 ILE MG 2.400 . 3.100 2.454 2.368 3.200 0.100 14 0 "[ . 1 . 2]" 1
614 2 14 ILE MD 2 14 ILE MG 2.400 . 3.100 1.926 1.876 2.010 . 0 0 "[ . 1 . 2]" 1
615 2 37 ILE MD 2 67 GLN HA 4.000 . 6.000 4.522 4.018 5.188 . 0 0 "[ . 1 . 2]" 1
616 2 37 ILE MD 2 71 LEU HG 3.500 . 5.000 3.611 3.126 4.645 . 0 0 "[ . 1 . 2]" 1
617 2 70 ARG QD 2 71 LEU HA 3.600 . 5.300 4.802 2.886 5.338 0.038 14 0 "[ . 1 . 2]" 1
618 2 21 LYS HB2 2 21 LYS QE 3.400 . 4.800 3.975 2.772 4.190 . 0 0 "[ . 1 . 2]" 1
619 2 21 LYS HB3 2 21 LYS QE 3.300 . 4.700 4.012 2.086 4.221 . 0 0 "[ . 1 . 2]" 1
620 2 50 GLU HA 2 50 GLU HG2 2.700 . 3.600 3.145 2.418 3.754 0.154 13 0 "[ . 1 . 2]" 1
621 2 79 LEU HA 2 82 PHE HB2 2.700 . 3.600 3.483 3.031 3.729 0.129 13 0 "[ . 1 . 2]" 1
622 1 10 ALA MB 2 14 ILE HG12 2.900 . 3.900 2.241 2.000 2.733 . 0 0 "[ . 1 . 2]" 1
623 2 41 TYR HB3 2 59 LEU QD 5.000 . 6.000 4.095 3.459 5.033 . 0 0 "[ . 1 . 2]" 1
624 2 86 LEU QD 2 87 PRO QD 3.400 . 4.800 2.620 1.982 2.982 0.018 5 0 "[ . 1 . 2]" 1
625 2 13 ALA HA 2 16 TYR HB3 3.300 . 4.700 3.002 2.439 3.265 . 0 0 "[ . 1 . 2]" 1
626 2 8 VAL MG1 2 8 VAL MG2 2.100 . 2.600 2.090 2.083 2.094 . 0 0 "[ . 1 . 2]" 1
627 1 6 MET HG3 2 13 ALA MB 4.000 . 6.000 2.874 1.901 4.222 0.099 11 0 "[ . 1 . 2]" 1
628 1 10 ALA MB 2 14 ILE MG 3.400 . 4.800 3.590 3.318 3.956 . 0 0 "[ . 1 . 2]" 1
629 2 14 ILE HG13 2 14 ILE MG 3.200 . 4.500 3.172 2.497 3.210 . 0 0 "[ . 1 . 2]" 1
630 1 8 LEU HA 2 35 LEU MD2 3.900 . 5.800 3.817 3.048 4.298 . 0 0 "[ . 1 . 2]" 1
631 2 35 LEU HA 2 35 LEU MD1 4.200 . 6.000 3.850 3.819 3.877 . 0 0 "[ . 1 . 2]" 1
632 2 67 GLN QB 2 68 VAL QG 4.100 . 6.000 2.983 2.880 3.104 . 0 0 "[ . 1 . 2]" 1
633 2 83 GLY HA2 2 86 LEU HB2 3.100 . 4.300 2.675 2.237 3.073 . 0 0 "[ . 1 . 2]" 1
634 2 83 GLY HA2 2 86 LEU HG 3.800 . 5.600 3.260 2.323 5.109 . 0 0 "[ . 1 . 2]" 1
635 2 86 LEU HA 2 86 LEU HG 3.800 . 5.600 3.058 2.802 3.206 . 0 0 "[ . 1 . 2]" 1
636 2 86 LEU HB3 2 86 LEU HG 2.300 . 3.000 2.969 2.505 3.019 0.019 11 0 "[ . 1 . 2]" 1
637 2 38 LEU QD 2 64 VAL MG1 3.500 . 5.000 2.979 1.987 3.884 0.013 13 0 "[ . 1 . 2]" 1
638 1 4 ILE MG 2 64 VAL MG1 3.400 . 4.800 4.604 4.134 4.820 0.020 12 0 "[ . 1 . 2]" 1
639 1 3 ASN HB2 2 86 LEU QD 3.100 . 4.300 3.074 2.005 4.271 . 0 0 "[ . 1 . 2]" 1
640 2 75 GLN HG3 2 78 LEU QD 3.400 . 4.900 3.069 2.092 4.668 . 0 0 "[ . 1 . 2]" 1
641 2 72 PHE HA 2 75 GLN HB2 3.400 . 4.800 3.782 3.143 4.926 0.126 20 0 "[ . 1 . 2]" 1
642 2 41 TYR HA 2 59 LEU HB3 3.800 . 5.600 2.963 2.052 4.192 . 0 0 "[ . 1 . 2]" 1
643 2 40 THR MG 2 44 GLU HG2 3.300 . 4.700 2.896 2.455 4.005 . 0 0 "[ . 1 . 2]" 1
644 2 30 ILE MG 2 72 PHE QD 3.300 . 4.700 3.665 2.923 4.403 . 0 0 "[ . 1 . 2]" 1
645 2 24 PHE QE 2 30 ILE MG 2.800 . 3.800 2.940 2.620 3.215 . 0 0 "[ . 1 . 2]" 1
646 2 24 PHE QD 2 30 ILE MG 3.300 . 4.600 3.054 2.812 3.324 . 0 0 "[ . 1 . 2]" 1
647 2 34 PHE QD 2 37 ILE MD 3.600 . 5.200 2.851 2.190 3.791 . 0 0 "[ . 1 . 2]" 1
648 2 20 ILE MD 2 72 PHE QE 3.100 . 4.300 3.402 2.514 3.888 . 0 0 "[ . 1 . 2]" 1
649 2 16 TYR QE 2 20 ILE MD 2.400 . 3.100 2.609 2.376 2.794 . 0 0 "[ . 1 . 2]" 1
650 2 20 ILE MD 2 34 PHE QE 2.800 . 3.800 2.856 2.426 3.323 . 0 0 "[ . 1 . 2]" 1
651 2 20 ILE MD 2 34 PHE HZ 3.300 . 4.700 3.809 3.119 4.421 . 0 0 "[ . 1 . 2]" 1
652 2 20 ILE MD 2 31 TYR QD 3.800 . 5.600 4.337 3.850 4.921 . 0 0 "[ . 1 . 2]" 1
653 2 16 TYR QD 2 20 ILE MD 3.100 . 4.300 3.379 3.227 3.496 . 0 0 "[ . 1 . 2]" 1
654 1 13 TYR QE 2 14 ILE MD 3.300 . 4.600 3.073 2.288 3.802 . 0 0 "[ . 1 . 2]" 1
655 2 10 PHE QE 2 14 ILE MD 3.200 . 4.500 2.411 2.117 2.723 . 0 0 "[ . 1 . 2]" 1
656 2 41 TYR QD 2 59 LEU HB3 3.500 . 5.000 3.428 2.146 4.731 . 0 0 "[ . 1 . 2]" 1
657 2 41 TYR QD 2 59 LEU HB2 5.200 . 6.000 4.575 2.253 6.007 0.007 16 0 "[ . 1 . 2]" 1
658 2 24 PHE QE 2 30 ILE MD 3.200 . 4.500 4.025 3.752 4.440 . 0 0 "[ . 1 . 2]" 1
659 2 24 PHE QD 2 30 ILE MD 3.400 . 4.800 4.035 3.738 4.264 . 0 0 "[ . 1 . 2]" 1
660 2 71 LEU HB3 2 72 PHE QE 3.500 . 5.100 4.305 3.578 5.309 0.209 1 0 "[ . 1 . 2]" 1
661 2 21 LYS QE 2 31 TYR QE 3.000 . 4.100 3.803 3.185 4.110 0.010 6 0 "[ . 1 . 2]" 1
662 2 72 PHE QE 2 78 LEU HB2 4.100 . 6.000 4.577 3.806 5.208 . 0 0 "[ . 1 . 2]" 1
663 2 72 PHE QD 2 78 LEU HB2 3.900 . 5.800 3.890 3.094 4.582 . 0 0 "[ . 1 . 2]" 1
664 2 55 TYR HB3 2 55 TYR QD 2.500 . 3.300 2.352 2.320 2.434 . 0 0 "[ . 1 . 2]" 1
665 2 55 TYR HB2 2 55 TYR QE 4.600 . 6.000 4.432 4.402 4.446 . 0 0 "[ . 1 . 2]" 1
666 2 10 PHE HB3 2 10 PHE QD 2.900 . 3.900 2.290 2.265 2.341 . 0 0 "[ . 1 . 2]" 1
667 2 82 PHE HB2 2 82 PHE QD 2.700 . 3.600 2.490 2.382 2.614 . 0 0 "[ . 1 . 2]" 1
668 2 85 PHE HB3 2 85 PHE QD 2.800 . 3.700 2.520 2.356 2.685 . 0 0 "[ . 1 . 2]" 1
669 2 85 PHE HB2 2 85 PHE QD 2.800 . 3.700 2.301 2.260 2.412 . 0 0 "[ . 1 . 2]" 1
670 2 31 TYR QB 2 31 TYR QD 2.600 . 3.400 2.149 2.138 2.160 . 0 0 "[ . 1 . 2]" 1
671 2 34 PHE HB3 2 34 PHE QD 2.500 . 3.300 2.271 2.261 2.291 . 0 0 "[ . 1 . 2]" 1
672 2 34 PHE HB2 2 34 PHE QD 2.600 . 3.500 2.674 2.539 2.743 . 0 0 "[ . 1 . 2]" 1
673 2 31 TYR HB3 2 31 TYR QE 4.100 . 6.000 4.384 4.380 4.396 . 0 0 "[ . 1 . 2]" 1
674 2 31 TYR HB2 2 31 TYR QE 4.200 . 6.000 4.476 4.448 4.490 . 0 0 "[ . 1 . 2]" 1
675 2 24 PHE HB3 2 24 PHE QD 2.800 . 3.800 2.403 2.340 2.517 . 0 0 "[ . 1 . 2]" 1
676 2 47 ASN HB3 2 55 TYR QE 3.600 . 5.200 3.592 2.660 4.143 . 0 0 "[ . 1 . 2]" 1
677 2 72 PHE HB3 2 72 PHE QD 3.100 . 4.300 2.655 2.569 2.735 . 0 0 "[ . 1 . 2]" 1
678 2 16 TYR QE 2 81 GLU HG3 3.300 . 4.700 3.859 2.642 5.139 0.439 19 0 "[ . 1 . 2]" 1
679 2 16 TYR QE 2 81 GLU HG2 3.600 . 5.200 3.880 2.812 4.826 . 0 0 "[ . 1 . 2]" 1
680 2 41 TYR QE 2 45 GLN QG 3.100 . 4.300 3.606 2.595 4.322 0.022 4 0 "[ . 1 . 2]" 1
681 2 55 TYR QE 2 57 PRO HB2 4.300 . 6.000 4.604 3.612 5.687 . 0 0 "[ . 1 . 2]" 1
682 2 21 LYS HB2 2 31 TYR QE 3.100 . 4.300 2.894 2.228 3.719 . 0 0 "[ . 1 . 2]" 1
683 2 65 TYR HA 2 65 TYR QD 2.600 . 3.500 2.808 2.483 3.094 . 0 0 "[ . 1 . 2]" 1
684 2 24 PHE QE 2 75 GLN HG2 3.200 . 4.500 3.679 2.832 4.466 . 0 0 "[ . 1 . 2]" 1
685 2 24 PHE QE 2 75 GLN HG3 3.300 . 4.700 3.002 2.183 4.491 . 0 0 "[ . 1 . 2]" 1
686 2 65 TYR HA 2 65 TYR QE 3.600 . 5.200 4.599 4.501 4.672 . 0 0 "[ . 1 . 2]" 1
687 2 55 TYR QD 2 57 PRO HA 3.700 . 5.400 3.691 2.920 4.477 . 0 0 "[ . 1 . 2]" 1
688 2 24 PHE QD 2 27 GLN HB2 3.300 . 4.600 2.976 2.281 4.583 . 0 0 "[ . 1 . 2]" 1
689 2 24 PHE QD 2 27 GLN HB3 3.900 . 5.800 4.040 2.612 4.710 . 0 0 "[ . 1 . 2]" 1
690 2 16 TYR QE 2 19 LYS QD 3.800 . 5.600 4.296 3.671 5.211 . 0 0 "[ . 1 . 2]" 1
691 2 16 TYR QD 2 19 LYS QD 3.200 . 4.500 3.603 3.084 4.393 . 0 0 "[ . 1 . 2]" 1
692 2 82 PHE HA 2 85 PHE QD 2.600 . 3.500 2.321 1.847 3.305 . 0 0 "[ . 1 . 2]" 1
693 2 16 TYR HA 2 16 TYR QD 2.400 . 3.100 2.559 2.350 2.733 . 0 0 "[ . 1 . 2]" 1
694 2 31 TYR HA 2 31 TYR QE 3.900 . 5.800 4.469 4.426 4.544 . 0 0 "[ . 1 . 2]" 1
695 2 31 TYR HA 2 34 PHE QD 3.700 . 5.400 4.338 4.075 4.532 . 0 0 "[ . 1 . 2]" 1
696 2 10 PHE HA 2 10 PHE QD 2.900 . 3.900 2.567 2.380 2.812 . 0 0 "[ . 1 . 2]" 1
697 2 34 PHE HA 2 34 PHE QD 2.700 . 3.600 2.260 2.102 2.552 . 0 0 "[ . 1 . 2]" 1
698 2 21 LYS HA 2 31 TYR QE 4.300 . 6.000 4.066 3.544 4.778 . 0 0 "[ . 1 . 2]" 1
699 2 21 LYS HA 2 31 TYR QD 3.000 . 4.200 3.294 2.726 3.945 . 0 0 "[ . 1 . 2]" 1
700 2 85 PHE HA 2 85 PHE QD 3.000 . 4.200 2.585 2.161 2.986 . 0 0 "[ . 1 . 2]" 1
701 2 12 HIS HA 2 12 HIS HD2 3.300 . 4.600 3.336 2.497 4.327 . 0 0 "[ . 1 . 2]" 1
702 2 24 PHE HA 2 24 PHE QD 2.700 . 3.600 2.875 2.584 3.034 . 0 0 "[ . 1 . 2]" 1
703 2 24 PHE QE 2 78 LEU QD 2.600 . 3.400 2.521 2.024 2.936 . 0 0 "[ . 1 . 2]" 1
704 2 82 PHE QE 2 86 LEU QD 2.900 . 3.800 2.555 2.083 3.228 . 0 0 "[ . 1 . 2]" 1
705 2 34 PHE HZ 2 38 LEU QD 3.200 . 4.500 2.516 2.275 2.774 . 0 0 "[ . 1 . 2]" 1
706 2 38 LEU QD 2 41 TYR QD 4.000 . 6.000 4.566 4.085 5.380 . 0 0 "[ . 1 . 2]" 1
707 2 34 PHE QE 2 38 LEU QD 3.100 . 3.600 2.328 2.156 2.660 . 0 0 "[ . 1 . 2]" 1
708 2 72 PHE QE 2 78 LEU QD 3.300 . 4.700 3.145 2.687 4.334 . 0 0 "[ . 1 . 2]" 1
709 2 82 PHE HZ 2 86 LEU QD 3.300 . 4.600 3.412 3.062 4.078 . 0 0 "[ . 1 . 2]" 1
710 2 31 TYR QE 2 35 LEU MD1 2.800 . 3.800 2.561 2.411 2.699 . 0 0 "[ . 1 . 2]" 1
711 2 34 PHE QD 2 35 LEU MD1 4.700 . 6.000 4.859 4.297 5.149 . 0 0 "[ . 1 . 2]" 1
712 2 41 TYR QD 2 59 LEU MD2 3.500 . 5.000 3.873 2.035 5.301 0.301 11 0 "[ . 1 . 2]" 1
713 2 72 PHE QD 2 79 LEU QD 3.400 . 4.100 2.864 1.894 3.239 0.006 20 0 "[ . 1 . 2]" 1
714 2 21 LYS HG3 2 31 TYR QE 3.500 . 5.000 3.818 3.374 4.476 . 0 0 "[ . 1 . 2]" 1
715 2 65 TYR QD 2 79 LEU QD 3.500 . 5.000 3.030 2.422 3.989 . 0 0 "[ . 1 . 2]" 1
716 2 17 VAL MG1 2 31 TYR QE 3.200 . 4.400 2.269 1.987 2.929 0.013 9 0 "[ . 1 . 2]" 1
717 2 41 TYR QE 2 86 LEU QD 3.400 . 4.800 4.255 3.711 4.643 . 0 0 "[ . 1 . 2]" 1
718 2 82 PHE QD 2 86 LEU QD 3.900 . 5.800 3.161 2.607 3.906 . 0 0 "[ . 1 . 2]" 1
719 2 64 VAL MG2 2 82 PHE QE 3.200 . 4.500 4.308 3.636 4.532 0.032 2 0 "[ . 1 . 2]" 1
720 2 41 TYR QD 2 64 VAL MG2 3.000 . 4.200 2.293 2.010 2.581 . 0 0 "[ . 1 . 2]" 1
721 2 72 PHE QE 2 79 LEU QD 3.300 . 4.700 4.083 3.270 4.600 . 0 0 "[ . 1 . 2]" 1
722 2 68 VAL QG 2 72 PHE QE 3.300 . 4.700 2.195 2.028 2.977 . 0 0 "[ . 1 . 2]" 1
723 2 34 PHE QE 2 68 VAL QG 2.500 . 3.300 2.331 1.881 2.858 0.019 12 0 "[ . 1 . 2]" 1
724 2 13 ALA HA 2 85 PHE QE 3.700 . 5.400 4.375 3.815 4.846 . 0 0 "[ . 1 . 2]" 1
725 2 65 TYR QD 2 66 ALA HA 3.400 . 4.900 3.486 3.288 3.836 . 0 0 "[ . 1 . 2]" 1
726 2 72 PHE QD 2 78 LEU QD 3.900 . 5.800 3.294 2.590 4.160 . 0 0 "[ . 1 . 2]" 1
727 2 16 TYR QE 2 78 LEU QD 2.800 . 3.800 3.197 2.333 3.564 . 0 0 "[ . 1 . 2]" 1
728 2 34 PHE QD 2 38 LEU QD 2.600 . 3.400 3.082 2.833 3.191 . 0 0 "[ . 1 . 2]" 1
729 2 31 TYR QE 2 35 LEU MD2 3.000 . 4.100 3.420 2.912 3.978 . 0 0 "[ . 1 . 2]" 1
730 2 34 PHE QD 2 35 LEU MD2 2.700 . 3.600 3.188 2.760 3.391 . 0 0 "[ . 1 . 2]" 1
731 2 34 PHE QE 2 35 LEU MD2 3.000 . 4.200 3.982 3.412 4.214 0.014 9 0 "[ . 1 . 2]" 1
732 2 64 VAL MG1 2 82 PHE QE 2.700 . 3.600 2.274 2.007 2.694 . 0 0 "[ . 1 . 2]" 1
733 2 41 TYR QD 2 64 VAL MG1 3.100 . 4.300 4.285 4.090 4.364 0.064 2 0 "[ . 1 . 2]" 1
734 2 64 VAL MG1 2 82 PHE HZ 2.500 . 3.300 2.304 1.831 2.815 . 0 0 "[ . 1 . 2]" 1
735 2 72 PHE HA 2 72 PHE QD 2.400 . 3.100 2.293 1.953 2.535 . 0 0 "[ . 1 . 2]" 1
736 2 24 PHE HZ 2 72 PHE HA 3.300 . 4.600 4.026 2.975 4.591 . 0 0 "[ . 1 . 2]" 1
737 2 68 VAL QG 2 72 PHE QD 3.900 . 5.800 2.220 1.833 3.394 0.167 9 0 "[ . 1 . 2]" 1
738 2 51 ALA MB 2 55 TYR QE 3.200 . 4.500 4.083 2.885 4.512 0.012 10 0 "[ . 1 . 2]" 1
739 2 51 ALA MB 2 55 TYR QD 3.100 . 4.300 3.081 2.247 3.564 . 0 0 "[ . 1 . 2]" 1
740 2 13 ALA MB 2 85 PHE HZ 3.300 . 4.700 4.289 3.196 4.702 0.002 17 0 "[ . 1 . 2]" 1
741 2 48 ALA MB 2 55 TYR QE 3.000 . 4.100 3.290 2.346 3.983 . 0 0 "[ . 1 . 2]" 1
742 2 48 ALA MB 2 55 TYR QD 2.700 . 3.600 2.544 2.095 3.179 . 0 0 "[ . 1 . 2]" 1
743 2 10 PHE QD 2 13 ALA MB 3.400 . 4.800 3.832 3.476 4.452 . 0 0 "[ . 1 . 2]" 1
744 2 20 ILE MG 2 24 PHE QD 2.500 . 3.300 2.288 2.001 2.683 . 0 0 "[ . 1 . 2]" 1
745 2 20 ILE MG 2 72 PHE QE 2.900 . 4.000 2.981 2.204 3.687 . 0 0 "[ . 1 . 2]" 1
746 1 13 TYR QE 2 14 ILE MG 3.600 . 5.000 4.279 3.553 4.749 . 0 0 "[ . 1 . 2]" 1
747 2 20 ILE MG 2 72 PHE HZ 2.800 . 3.700 2.804 2.324 3.654 . 0 0 "[ . 1 . 2]" 1
748 2 20 ILE MD 2 72 PHE HZ 2.800 . 3.800 2.852 1.888 3.777 . 0 0 "[ . 1 . 2]" 1
749 2 48 ALA HA 2 51 ALA MB 2.600 . 3.400 2.798 2.335 3.131 . 0 0 "[ . 1 . 2]" 1
750 2 10 PHE HA 2 13 ALA MB 2.700 . 3.600 2.675 2.444 3.088 . 0 0 "[ . 1 . 2]" 1
751 2 30 ILE HA 2 33 ALA MB 2.400 . 3.100 2.600 2.364 2.810 . 0 0 "[ . 1 . 2]" 1
752 2 16 TYR HB2 2 85 PHE HZ 3.800 . 5.600 4.459 3.305 5.233 . 0 0 "[ . 1 . 2]" 1
753 1 13 TYR HA 1 13 TYR QD 2.900 . 3.900 2.987 2.920 3.079 . 0 0 "[ . 1 . 2]" 1
754 1 13 TYR QD 1 14 LEU QD 2.800 . 3.800 2.386 1.802 3.885 0.085 13 0 "[ . 1 . 2]" 1
755 1 13 TYR QE 1 14 LEU QD 3.200 . 4.500 3.095 2.582 4.384 . 0 0 "[ . 1 . 2]" 1
756 1 13 TYR QD 1 14 LEU QB 2.900 . 3.900 3.699 2.852 3.947 0.047 7 0 "[ . 1 . 2]" 1
757 1 13 TYR HB2 1 13 TYR QD 2.600 . 3.400 2.396 2.364 2.422 . 0 0 "[ . 1 . 2]" 1
758 1 13 TYR HB3 1 13 TYR QD 2.700 . 3.600 2.404 2.375 2.445 . 0 0 "[ . 1 . 2]" 1
759 1 3 ASN HA 1 3 ASN HB2 2.700 . 3.600 2.601 2.352 3.025 . 0 0 "[ . 1 . 2]" 1
760 1 3 ASN HA 1 3 ASN HB3 2.600 . 3.400 2.660 2.273 3.024 . 0 0 "[ . 1 . 2]" 1
761 1 2 MET HA 1 2 MET HB2 2.700 . 3.600 2.523 2.415 2.726 . 0 0 "[ . 1 . 2]" 1
762 1 11 ALA MB 1 12 ASP HA 3.900 . 5.800 3.827 3.791 3.871 . 0 0 "[ . 1 . 2]" 1
763 1 12 ASP HA 1 15 GLU HB2 3.000 . 4.100 3.363 2.627 4.217 0.117 12 0 "[ . 1 . 2]" 1
764 1 12 ASP HA 1 15 GLU HB3 3.200 . 4.500 2.971 2.379 4.392 . 0 0 "[ . 1 . 2]" 1
765 1 2 MET HA 1 2 MET HG2 3.200 . 4.500 3.378 2.621 4.221 . 0 0 "[ . 1 . 2]" 1
766 1 2 MET HA 1 2 MET HG3 3.300 . 4.700 3.129 2.466 3.762 . 0 0 "[ . 1 . 2]" 1
767 1 12 ASP HA 1 12 ASP HB2 2.600 . 3.400 2.601 2.430 3.024 . 0 0 "[ . 1 . 2]" 1
768 1 12 ASP HA 1 12 ASP HB3 2.700 . 3.600 2.901 2.504 3.029 . 0 0 "[ . 1 . 2]" 1
769 1 6 MET HA 1 6 MET HG3 2.900 . 3.900 3.004 2.520 3.756 . 0 0 "[ . 1 . 2]" 1
770 1 6 MET HA 1 6 MET HG2 3.100 . 4.300 3.414 2.781 3.781 . 0 0 "[ . 1 . 2]" 1
771 1 6 MET HA 1 6 MET HB3 2.900 . 4.000 2.919 2.451 3.026 . 0 0 "[ . 1 . 2]" 1
772 1 1 ARG HA 1 1 ARG QB 2.600 . 3.500 2.379 2.332 2.502 . 0 0 "[ . 1 . 2]" 1
773 1 1 ARG HA 1 1 ARG HG3 2.700 . 3.600 2.935 2.394 3.737 0.137 4 0 "[ . 1 . 2]" 1
774 1 1 ARG HA 1 1 ARG HG2 2.700 . 3.600 2.896 2.503 3.608 0.008 13 0 "[ . 1 . 2]" 1
775 1 15 GLU HA 1 15 GLU HB2 2.600 . 3.400 2.583 2.444 3.023 . 0 0 "[ . 1 . 2]" 1
776 1 15 GLU HA 1 15 GLU HG3 3.000 . 4.200 2.945 2.524 3.756 . 0 0 "[ . 1 . 2]" 1
777 1 9 GLU HA 1 12 ASP HB2 3.400 . 4.800 3.695 2.840 4.780 . 0 0 "[ . 1 . 2]" 1
778 1 9 GLU HA 1 12 ASP HB3 2.900 . 3.900 3.372 2.498 4.739 0.839 15 5 "[ .-** 1 + * 2]" 1
779 1 1 ARG HA 1 1 ARG QD 3.700 . 5.400 3.761 1.990 4.276 0.010 6 0 "[ . 1 . 2]" 1
780 1 13 TYR HA 1 13 TYR HB2 2.600 . 3.500 2.414 2.396 2.444 . 0 0 "[ . 1 . 2]" 1
781 1 10 ALA HA 1 13 TYR HB2 3.500 . 5.100 3.321 3.065 3.649 . 0 0 "[ . 1 . 2]" 1
782 1 10 ALA HA 1 13 TYR HB3 2.800 . 3.800 2.545 1.976 2.897 . 0 0 "[ . 1 . 2]" 1
783 1 5 GLN HA 1 5 GLN QG 2.800 . 3.800 2.676 2.347 3.339 . 0 0 "[ . 1 . 2]" 1
784 1 11 ALA HA 1 14 LEU QB 2.800 . 3.800 3.343 2.839 3.660 . 0 0 "[ . 1 . 2]" 1
785 1 16 ARG HA 1 16 ARG QB 2.400 . 3.100 2.370 2.344 2.467 . 0 0 "[ . 1 . 2]" 1
786 1 14 LEU HA 1 14 LEU HG 2.700 . 3.600 3.188 3.132 3.277 . 0 0 "[ . 1 . 2]" 1
787 1 14 LEU HA 1 14 LEU QB 2.500 . 3.300 2.302 2.270 2.324 . 0 0 "[ . 1 . 2]" 1
788 1 7 LEU HA 1 7 LEU HB3 2.600 . 3.500 2.479 2.394 2.960 . 0 0 "[ . 1 . 2]" 1
789 1 5 GLN HA 1 5 GLN HB3 2.700 . 3.600 2.919 2.460 3.025 . 0 0 "[ . 1 . 2]" 1
790 1 5 GLN HA 1 5 GLN HB2 2.700 . 3.600 2.537 2.409 3.027 . 0 0 "[ . 1 . 2]" 1
791 1 4 ILE HA 1 4 ILE HB 2.800 . 3.800 3.019 3.009 3.022 . 0 0 "[ . 1 . 2]" 1
792 1 10 ALA HA 1 10 ALA MB 2.300 . 2.900 2.129 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
793 1 14 LEU HA 1 14 LEU QD 2.400 . 3.100 2.185 2.086 2.315 . 0 0 "[ . 1 . 2]" 1
794 1 11 ALA HA 1 14 LEU QD 2.900 . 4.000 3.166 2.728 3.847 . 0 0 "[ . 1 . 2]" 1
795 1 7 LEU HA 1 7 LEU HB2 2.600 . 3.500 2.969 2.272 3.021 . 0 0 "[ . 1 . 2]" 1
796 1 8 LEU HA 1 11 ALA MB 2.500 . 3.300 2.745 2.145 3.195 . 0 0 "[ . 1 . 2]" 1
797 1 4 ILE HA 1 4 ILE MG 2.700 . 3.600 2.413 2.313 2.537 . 0 0 "[ . 1 . 2]" 1
798 1 4 ILE HA 1 7 LEU QD 2.900 . 3.900 2.908 2.246 3.728 . 0 0 "[ . 1 . 2]" 1
799 1 4 ILE HA 1 4 ILE MD 2.800 . 3.800 2.815 2.006 3.809 0.009 3 0 "[ . 1 . 2]" 1
800 1 7 LEU HA 1 7 LEU QD . . 3.300 2.138 2.047 2.470 . 0 0 "[ . 1 . 2]" 1
801 1 8 LEU HA 1 8 LEU QD 2.400 . 3.100 2.045 1.855 2.424 . 0 0 "[ . 1 . 2]" 1
802 1 6 MET HB2 1 6 MET HG3 2.700 . 3.600 2.396 2.159 2.820 . 0 0 "[ . 1 . 2]" 1
803 1 7 LEU HB3 1 7 LEU QD 3.200 . 3.800 2.121 2.107 2.238 . 0 0 "[ . 1 . 2]" 1
804 1 4 ILE HB 1 4 ILE MD 2.800 . 3.800 2.779 2.270 3.240 . 0 0 "[ . 1 . 2]" 1
805 1 4 ILE HB 1 4 ILE MG 2.200 . 2.800 2.127 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
806 1 8 LEU HB3 1 8 LEU QD 2.800 . 3.600 2.178 2.098 2.399 . 0 0 "[ . 1 . 2]" 1
807 1 14 LEU QB 1 14 LEU QD 2.000 . 2.500 1.928 1.898 1.940 . 0 0 "[ . 1 . 2]" 1
808 1 8 LEU HB2 1 8 LEU QD 3.000 . 3.300 2.237 2.087 2.359 . 0 0 "[ . 1 . 2]" 1
809 1 7 LEU HB2 1 7 LEU QD 3.100 . 3.300 2.244 2.096 2.287 . 0 0 "[ . 1 . 2]" 1
810 1 14 LEU QD 1 14 LEU HG 2.100 . 2.600 1.895 1.892 1.896 . 0 0 "[ . 1 . 2]" 1
811 1 1 ARG QD 1 1 ARG HG2 2.400 . 3.100 2.284 2.170 2.406 . 0 0 "[ . 1 . 2]" 1
812 1 1 ARG QB 1 1 ARG QD 3.000 . 4.100 2.315 2.121 2.834 . 0 0 "[ . 1 . 2]" 1
813 1 7 LEU MD1 1 7 LEU MD2 2.400 . 3.100 2.086 2.083 2.089 . 0 0 "[ . 1 . 2]" 1
814 1 4 ILE MG 1 8 LEU QD 3.300 . 4.600 2.122 1.775 3.134 0.225 3 0 "[ . 1 . 2]" 1
815 1 6 MET HB3 1 6 MET HG3 2.700 . 3.600 2.629 2.413 3.011 . 0 0 "[ . 1 . 2]" 1
816 1 2 MET HA 1 5 GLN HB3 3.900 . 5.800 4.174 2.396 6.231 0.431 19 0 "[ . 1 . 2]" 1
817 1 2 MET HA 1 6 MET HB3 4.600 . 6.000 4.314 2.473 6.318 0.318 8 0 "[ . 1 . 2]" 1
818 1 3 ASN HA 1 6 MET HB3 3.800 . 5.600 4.454 3.238 5.787 0.187 17 0 "[ . 1 . 2]" 1
819 1 4 ILE MG 1 5 GLN HA 3.800 . 5.600 3.376 3.118 3.695 . 0 0 "[ . 1 . 2]" 1
820 1 4 ILE HA 1 4 ILE HG13 3.200 . 4.500 3.178 2.296 3.785 . 0 0 "[ . 1 . 2]" 1
821 1 4 ILE HA 1 7 LEU HB3 3.400 . 4.900 4.792 2.981 5.625 0.725 9 1 "[ . +1 . 2]" 1
822 1 12 ASP HA 1 15 GLU HG2 4.400 . 6.000 4.719 3.962 5.772 . 0 0 "[ . 1 . 2]" 1
823 1 12 ASP HA 1 15 GLU HG3 4.200 . 6.000 4.863 3.895 5.759 . 0 0 "[ . 1 . 2]" 1
824 1 10 ALA MB 1 11 ALA HA 3.600 . 5.200 3.825 3.766 3.921 . 0 0 "[ . 1 . 2]" 1
825 1 4 ILE MD 1 4 ILE HG13 2.300 . 3.000 2.119 2.115 2.121 . 0 0 "[ . 1 . 2]" 1
826 2 2 LEU HA 2 3 GLN H 3.000 . 4.100 2.631 2.131 3.570 . 0 0 "[ . 1 . 2]" 1
827 2 3 GLN H 2 3 GLN HB3 3.100 . 4.300 3.264 2.446 4.057 . 0 0 "[ . 1 . 2]" 1
828 2 3 GLN H 2 3 GLN HB2 2.800 . 3.800 2.950 2.437 3.863 0.063 3 0 "[ . 1 . 2]" 1
829 2 2 LEU HB2 2 3 GLN H 3.700 . 5.400 3.907 2.993 4.506 . 0 0 "[ . 1 . 2]" 1
830 2 3 GLN HA 2 4 ASN H 3.200 . 4.500 2.508 2.145 3.445 . 0 0 "[ . 1 . 2]" 1
831 2 4 ASN H 2 4 ASN HB2 3.100 . 4.300 2.766 2.424 3.592 . 0 0 "[ . 1 . 2]" 1
832 2 3 GLN HB3 2 4 ASN H 3.200 . 4.500 3.553 1.990 4.341 . 0 0 "[ . 1 . 2]" 1
833 2 5 ASN H 2 5 ASN HB3 3.400 . 4.800 3.370 2.413 4.069 . 0 0 "[ . 1 . 2]" 1
834 2 6 GLN H 2 7 PRO HD2 3.600 . 5.200 4.671 3.516 5.402 0.202 10 0 "[ . 1 . 2]" 1
835 2 5 ASN HB2 2 6 GLN H 3.500 . 5.000 3.526 2.005 4.454 . 0 0 "[ . 1 . 2]" 1
836 2 5 ASN HB3 2 6 GLN H 3.800 . 5.600 3.240 2.022 4.490 . 0 0 "[ . 1 . 2]" 1
837 2 6 GLN H 2 6 GLN HG2 3.000 . 4.100 3.489 1.918 4.652 0.552 14 1 "[ . 1 +. 2]" 1
838 2 6 GLN H 2 6 GLN QB 2.700 . 3.600 2.758 2.262 3.354 . 0 0 "[ . 1 . 2]" 1
839 2 8 VAL H 2 9 GLU H 2.800 . 3.800 2.647 2.449 2.870 . 0 0 "[ . 1 . 2]" 1
840 2 7 PRO HA 2 8 VAL H 2.500 . 3.300 2.949 2.155 3.334 0.034 20 0 "[ . 1 . 2]" 1
841 2 8 VAL H 2 8 VAL HA 2.900 . 4.000 2.834 2.772 2.866 . 0 0 "[ . 1 . 2]" 1
842 2 7 PRO HD3 2 8 VAL H 5.100 . 6.000 4.452 3.818 5.813 . 0 0 "[ . 1 . 2]" 1
843 2 7 PRO HB3 2 8 VAL H 4.000 . 6.000 4.327 2.695 4.669 . 0 0 "[ . 1 . 2]" 1
844 2 8 VAL H 2 8 VAL MG1 3.200 . 4.500 3.770 3.754 3.783 . 0 0 "[ . 1 . 2]" 1
845 2 8 VAL H 2 8 VAL MG2 2.900 . 3.900 2.010 1.892 2.116 0.008 2 0 "[ . 1 . 2]" 1
846 2 9 GLU H 2 9 GLU HA 3.000 . 4.100 2.795 2.768 2.829 . 0 0 "[ . 1 . 2]" 1
847 2 8 VAL HA 2 9 GLU H 3.000 . 4.100 3.538 3.481 3.578 . 0 0 "[ . 1 . 2]" 1
848 2 9 GLU H 2 9 GLU HG3 3.400 . 4.900 3.067 2.105 4.526 . 0 0 "[ . 1 . 2]" 1
849 2 9 GLU H 2 9 GLU HG2 3.600 . 5.200 3.466 2.205 4.584 . 0 0 "[ . 1 . 2]" 1
850 2 8 VAL MG1 2 9 GLU H 3.900 . 5.800 3.477 2.875 3.814 . 0 0 "[ . 1 . 2]" 1
851 2 8 VAL MG2 2 9 GLU H 4.100 . 6.000 3.723 3.559 3.844 . 0 0 "[ . 1 . 2]" 1
852 2 9 GLU H 2 10 PHE H 3.100 . 4.300 2.698 2.593 2.801 . 0 0 "[ . 1 . 2]" 1
853 2 10 PHE H 2 11 ASN H 2.900 . 4.000 2.703 2.594 2.920 . 0 0 "[ . 1 . 2]" 1
854 2 9 GLU HA 2 10 PHE H 3.200 . 4.500 3.513 3.453 3.559 . 0 0 "[ . 1 . 2]" 1
855 2 10 PHE H 2 10 PHE HB3 2.700 . 3.600 2.592 2.513 2.703 . 0 0 "[ . 1 . 2]" 1
856 2 10 PHE H 2 10 PHE HB2 2.700 . 3.600 2.462 2.347 2.531 . 0 0 "[ . 1 . 2]" 1
857 1 6 MET ME 2 10 PHE H 3.600 . 5.200 3.955 2.638 4.998 . 0 0 "[ . 1 . 2]" 1
858 2 9 GLU QB 2 10 PHE H 3.100 . 4.300 2.656 2.351 2.911 . 0 0 "[ . 1 . 2]" 1
859 2 11 ASN H 2 12 HIS H 3.500 . 5.100 2.693 2.598 2.782 . 0 0 "[ . 1 . 2]" 1
860 2 10 PHE H 2 10 PHE QD 4.600 . 6.000 4.162 4.104 4.181 . 0 0 "[ . 1 . 2]" 1
861 2 10 PHE QD 2 11 ASN H 4.300 . 6.000 3.632 2.863 3.975 . 0 0 "[ . 1 . 2]" 1
862 2 10 PHE HA 2 11 ASN H 3.500 . 5.100 3.546 3.522 3.568 . 0 0 "[ . 1 . 2]" 1
863 2 11 ASN H 2 11 ASN HA 3.000 . 4.100 2.805 2.764 2.823 . 0 0 "[ . 1 . 2]" 1
864 2 8 VAL HA 2 11 ASN H 4.000 . 6.000 3.508 3.322 3.789 . 0 0 "[ . 1 . 2]" 1
865 2 10 PHE HB3 2 11 ASN H 3.400 . 4.900 2.463 2.125 2.654 . 0 0 "[ . 1 . 2]" 1
866 2 10 PHE HB2 2 11 ASN H 3.900 . 5.800 3.758 3.600 3.846 . 0 0 "[ . 1 . 2]" 1
867 2 11 ASN H 2 11 ASN HB3 2.800 . 3.800 2.801 2.470 3.594 . 0 0 "[ . 1 . 2]" 1
868 2 11 ASN H 2 11 ASN HB2 2.900 . 3.900 2.515 2.388 2.584 . 0 0 "[ . 1 . 2]" 1
869 2 12 HIS H 2 12 HIS HB3 3.200 . 4.500 2.976 2.534 3.598 . 0 0 "[ . 1 . 2]" 1
870 2 12 HIS H 2 12 HIS HB2 2.800 . 3.800 2.453 2.346 2.532 . 0 0 "[ . 1 . 2]" 1
871 2 11 ASN HB2 2 12 HIS H 4.100 . 6.000 3.563 2.433 3.980 . 0 0 "[ . 1 . 2]" 1
872 2 11 ASN HB3 2 12 HIS H 3.400 . 4.800 2.849 2.387 3.815 . 0 0 "[ . 1 . 2]" 1
873 2 13 ALA H 2 14 ILE H 2.900 . 3.900 2.719 2.572 2.820 . 0 0 "[ . 1 . 2]" 1
874 2 12 HIS H 2 13 ALA H 3.100 . 4.300 2.613 2.525 2.755 . 0 0 "[ . 1 . 2]" 1
875 2 12 HIS HA 2 13 ALA H 3.600 . 5.200 3.510 3.476 3.548 . 0 0 "[ . 1 . 2]" 1
876 2 10 PHE HA 2 13 ALA H 3.500 . 5.000 3.445 3.274 3.580 . 0 0 "[ . 1 . 2]" 1
877 2 13 ALA H 2 13 ALA HA 2.900 . 3.900 2.817 2.800 2.834 . 0 0 "[ . 1 . 2]" 1
878 2 12 HIS HB3 2 13 ALA H 3.100 . 4.300 3.088 2.518 3.800 . 0 0 "[ . 1 . 2]" 1
879 2 12 HIS HB2 2 13 ALA H 3.300 . 4.700 3.467 2.552 3.972 . 0 0 "[ . 1 . 2]" 1
880 2 13 ALA H 2 13 ALA MB 2.400 . 3.100 2.235 2.227 2.241 . 0 0 "[ . 1 . 2]" 1
881 2 4 ASN HA 2 5 ASN H 3.800 . 5.700 2.747 2.146 3.582 . 0 0 "[ . 1 . 2]" 1
882 2 11 ASN HA 2 14 ILE H 3.200 . 4.500 3.541 3.247 3.719 . 0 0 "[ . 1 . 2]" 1
883 2 13 ALA HA 2 14 ILE H 3.700 . 5.400 3.556 3.488 3.572 . 0 0 "[ . 1 . 2]" 1
884 2 14 ILE H 2 14 ILE HA 2.800 . 3.800 2.815 2.800 2.832 . 0 0 "[ . 1 . 2]" 1
885 2 14 ILE H 2 14 ILE HB 2.400 . 3.100 2.472 2.380 2.598 . 0 0 "[ . 1 . 2]" 1
886 2 13 ALA MB 2 14 ILE H 2.600 . 3.500 2.388 2.263 2.734 . 0 0 "[ . 1 . 2]" 1
887 1 10 ALA MB 2 14 ILE H 3.400 . 4.900 3.168 2.906 3.417 . 0 0 "[ . 1 . 2]" 1
888 2 14 ILE H 2 14 ILE HG13 2.400 . 3.100 2.300 2.005 3.394 0.294 14 0 "[ . 1 . 2]" 1
889 2 14 ILE H 2 14 ILE MG 3.900 . 5.800 3.756 3.734 3.776 . 0 0 "[ . 1 . 2]" 1
890 2 14 ILE H 2 14 ILE HG12 3.700 . 5.400 3.387 2.031 3.582 . 0 0 "[ . 1 . 2]" 1
891 2 14 ILE H 2 14 ILE MD 4.000 . 6.000 3.641 3.450 3.749 . 0 0 "[ . 1 . 2]" 1
892 2 15 ASN H 2 16 TYR H 2.700 . 3.600 2.661 2.579 2.758 . 0 0 "[ . 1 . 2]" 1
893 2 15 ASN H 2 15 ASN HA 2.700 . 3.600 2.816 2.792 2.835 . 0 0 "[ . 1 . 2]" 1
894 2 11 ASN HA 2 15 ASN H 3.800 . 5.600 4.193 3.926 4.399 . 0 0 "[ . 1 . 2]" 1
895 2 14 ILE HA 2 15 ASN H 3.500 . 5.000 3.534 3.501 3.565 . 0 0 "[ . 1 . 2]" 1
896 2 15 ASN H 2 15 ASN HB3 2.600 . 3.500 2.799 2.477 3.593 0.093 10 0 "[ . 1 . 2]" 1
897 2 15 ASN H 2 15 ASN HB2 2.700 . 3.600 2.507 2.382 2.598 . 0 0 "[ . 1 . 2]" 1
898 2 14 ILE HB 2 15 ASN H 2.600 . 3.400 2.675 2.317 2.843 . 0 0 "[ . 1 . 2]" 1
899 2 14 ILE MG 2 15 ASN H 3.200 . 4.500 3.347 3.071 3.555 . 0 0 "[ . 1 . 2]" 1
900 2 16 TYR H 2 17 VAL H 2.900 . 3.900 2.762 2.688 2.834 . 0 0 "[ . 1 . 2]" 1
901 2 16 TYR H 2 16 TYR QD 4.400 . 6.000 4.194 4.182 4.203 . 0 0 "[ . 1 . 2]" 1
902 2 13 ALA HA 2 16 TYR H 3.400 . 4.800 3.600 3.381 3.753 . 0 0 "[ . 1 . 2]" 1
903 2 16 TYR H 2 16 TYR HB3 2.500 . 3.300 2.497 2.402 2.564 . 0 0 "[ . 1 . 2]" 1
904 2 15 ASN HB3 2 16 TYR H 3.000 . 4.100 2.894 2.402 3.803 . 0 0 "[ . 1 . 2]" 1
905 2 15 ASN H 2 17 VAL H 3.900 . 5.800 4.453 4.328 4.560 . 0 0 "[ . 1 . 2]" 1
906 2 16 TYR QD 2 17 VAL H 3.700 . 5.400 3.302 2.988 3.526 . 0 0 "[ . 1 . 2]" 1
907 2 16 TYR HA 2 17 VAL H 3.400 . 4.800 3.567 3.558 3.574 . 0 0 "[ . 1 . 2]" 1
908 2 14 ILE HA 2 17 VAL H 3.200 . 4.500 3.711 3.557 4.026 . 0 0 "[ . 1 . 2]" 1
909 2 16 TYR HB2 2 17 VAL H 3.500 . 5.000 3.728 3.673 3.790 . 0 0 "[ . 1 . 2]" 1
910 2 17 VAL H 2 17 VAL HB 2.500 . 3.300 2.580 2.531 2.650 . 0 0 "[ . 1 . 2]" 1
911 2 17 VAL H 2 17 VAL MG1 3.000 . 4.100 3.765 3.760 3.771 . 0 0 "[ . 1 . 2]" 1
912 2 17 VAL H 2 17 VAL MG2 2.900 . 3.900 1.979 1.904 2.057 . 0 0 "[ . 1 . 2]" 1
913 2 18 ASN H 2 19 LYS H 2.700 . 3.600 2.547 2.445 2.628 . 0 0 "[ . 1 . 2]" 1
914 2 18 ASN H 2 18 ASN HA 2.800 . 3.800 2.836 2.810 2.863 . 0 0 "[ . 1 . 2]" 1
915 2 14 ILE HA 2 18 ASN H 4.300 . 6.000 3.935 3.691 4.167 . 0 0 "[ . 1 . 2]" 1
916 2 18 ASN H 2 18 ASN HB3 2.400 . 3.100 2.557 2.433 3.588 0.488 16 0 "[ . 1 . 2]" 1
917 2 18 ASN H 2 18 ASN HB2 2.700 . 3.600 2.573 2.405 2.661 . 0 0 "[ . 1 . 2]" 1
918 2 17 VAL HB 2 18 ASN H 2.700 . 3.600 2.671 2.424 2.783 . 0 0 "[ . 1 . 2]" 1
919 2 17 VAL MG1 2 18 ASN H 3.800 . 5.600 3.523 3.311 3.638 . 0 0 "[ . 1 . 2]" 1
920 2 17 VAL MG2 2 18 ASN H 3.900 . 5.800 3.814 3.736 3.900 . 0 0 "[ . 1 . 2]" 1
921 2 18 ASN HB3 2 19 LYS H 2.900 . 4.000 2.818 2.649 3.780 . 0 0 "[ . 1 . 2]" 1
922 2 18 ASN HB2 2 19 LYS H 3.500 . 5.000 3.914 2.860 4.028 . 0 0 "[ . 1 . 2]" 1
923 2 19 LYS H 2 19 LYS QB 2.200 . 2.800 2.251 2.243 2.257 . 0 0 "[ . 1 . 2]" 1
924 2 20 ILE H 2 21 LYS H 2.700 . 3.600 2.619 2.529 2.721 . 0 0 "[ . 1 . 2]" 1
925 2 19 LYS HA 2 20 ILE H 3.700 . 5.400 3.552 3.529 3.565 . 0 0 "[ . 1 . 2]" 1
926 2 20 ILE H 2 20 ILE HA 2.900 . 4.000 2.833 2.804 2.856 . 0 0 "[ . 1 . 2]" 1
927 2 20 ILE H 2 20 ILE HB 2.400 . 3.100 2.546 2.443 2.590 . 0 0 "[ . 1 . 2]" 1
928 2 20 ILE H 2 20 ILE HG13 2.200 . 2.800 2.111 2.013 2.312 . 0 0 "[ . 1 . 2]" 1
929 2 20 ILE H 2 20 ILE MG 3.800 . 5.600 3.771 3.755 3.779 . 0 0 "[ . 1 . 2]" 1
930 2 20 ILE H 2 20 ILE HG12 3.600 . 5.200 3.378 3.268 3.571 . 0 0 "[ . 1 . 2]" 1
931 2 20 ILE H 2 20 ILE MD 4.200 . 6.000 3.565 3.510 3.626 . 0 0 "[ . 1 . 2]" 1
932 2 21 LYS H 2 22 ASN H 2.700 . 3.600 2.617 2.537 2.742 . 0 0 "[ . 1 . 2]" 1
933 2 21 LYS H 2 31 TYR QE 3.600 . 5.300 3.872 3.491 4.477 . 0 0 "[ . 1 . 2]" 1
934 2 18 ASN HA 2 21 LYS H 3.200 . 4.500 3.442 3.314 3.536 . 0 0 "[ . 1 . 2]" 1
935 2 17 VAL HA 2 21 LYS H 4.100 . 6.000 4.173 4.035 4.395 . 0 0 "[ . 1 . 2]" 1
936 2 20 ILE HB 2 21 LYS H 2.500 . 3.300 2.624 2.459 2.796 . 0 0 "[ . 1 . 2]" 1
937 2 21 LYS H 2 21 LYS HB3 2.700 . 3.600 2.554 2.509 2.635 . 0 0 "[ . 1 . 2]" 1
938 2 21 LYS H 2 21 LYS HB2 2.500 . 3.300 2.491 2.412 2.538 . 0 0 "[ . 1 . 2]" 1
939 2 21 LYS H 2 21 LYS QD 4.300 . 6.000 4.393 4.361 4.662 . 0 0 "[ . 1 . 2]" 1
940 2 20 ILE HG13 2 21 LYS H 4.000 . 6.000 4.186 4.090 4.342 . 0 0 "[ . 1 . 2]" 1
941 2 20 ILE MG 2 21 LYS H 3.500 . 5.000 3.469 3.348 3.603 . 0 0 "[ . 1 . 2]" 1
942 2 21 LYS H 2 21 LYS QG 4.000 . 6.000 3.969 3.959 3.975 . 0 0 "[ . 1 . 2]" 1
943 2 20 ILE MD 2 21 LYS H 5.300 . 6.000 4.572 4.413 4.705 . 0 0 "[ . 1 . 2]" 1
944 2 22 ASN H 2 24 PHE H 4.500 . 6.000 4.098 3.712 4.428 . 0 0 "[ . 1 . 2]" 1
945 2 22 ASN H 2 22 ASN HA 2.700 . 3.600 2.876 2.856 2.886 . 0 0 "[ . 1 . 2]" 1
946 2 19 LYS HA 2 22 ASN H 3.300 . 4.600 3.604 3.458 3.796 . 0 0 "[ . 1 . 2]" 1
947 2 22 ASN H 2 22 ASN HB3 2.400 . 3.100 2.710 2.435 3.600 0.500 20 0 "[ . 1 . 2]" 1
948 2 22 ASN H 2 22 ASN HB2 2.700 . 3.600 2.579 2.211 2.733 . 0 0 "[ . 1 . 2]" 1
949 2 21 LYS HB3 2 22 ASN H 2.600 . 3.400 2.793 2.659 2.854 . 0 0 "[ . 1 . 2]" 1
950 2 21 LYS HB2 2 22 ASN H 3.800 . 5.600 3.957 3.860 4.008 . 0 0 "[ . 1 . 2]" 1
951 2 21 LYS QG 2 22 ASN H 3.900 . 5.800 3.849 3.733 3.917 . 0 0 "[ . 1 . 2]" 1
952 2 22 ASN HA 2 23 ARG H 4.000 . 6.000 3.529 3.407 3.570 . 0 0 "[ . 1 . 2]" 1
953 2 23 ARG H 2 23 ARG HA 2.800 . 3.800 2.823 2.781 2.882 . 0 0 "[ . 1 . 2]" 1
954 2 22 ASN HB3 2 23 ARG H 3.000 . 4.100 2.782 2.173 3.996 . 0 0 "[ . 1 . 2]" 1
955 2 22 ASN HB2 2 23 ARG H 3.600 . 5.300 3.656 2.461 4.122 . 0 0 "[ . 1 . 2]" 1
956 2 23 ARG H 2 23 ARG HB3 2.700 . 3.600 3.103 2.429 3.593 . 0 0 "[ . 1 . 2]" 1
957 2 23 ARG H 2 23 ARG HB2 2.500 . 3.300 2.509 2.390 2.698 . 0 0 "[ . 1 . 2]" 1
958 2 23 ARG H 2 23 ARG QG 4.000 . 6.000 3.032 2.098 4.045 . 0 0 "[ . 1 . 2]" 1
959 2 23 ARG H 2 24 PHE H 2.700 . 3.600 2.692 2.462 2.909 . 0 0 "[ . 1 . 2]" 1
960 2 24 PHE H 2 24 PHE HA 2.900 . 4.000 2.926 2.892 2.946 . 0 0 "[ . 1 . 2]" 1
961 2 22 ASN HA 2 24 PHE H 3.800 . 5.600 4.554 3.806 5.048 . 0 0 "[ . 1 . 2]" 1
962 2 24 PHE H 2 24 PHE HB3 3.800 . 5.600 3.668 3.610 3.796 . 0 0 "[ . 1 . 2]" 1
963 2 23 ARG HA 2 24 PHE H 3.100 . 4.300 3.531 3.408 3.573 . 0 0 "[ . 1 . 2]" 1
964 2 24 PHE H 2 24 PHE HB2 2.500 . 3.300 2.478 2.417 2.668 . 0 0 "[ . 1 . 2]" 1
965 2 23 ARG HB3 2 24 PHE H 3.100 . 4.300 3.106 2.190 4.060 . 0 0 "[ . 1 . 2]" 1
966 2 23 ARG HB2 2 24 PHE H 3.100 . 4.300 3.167 2.274 4.042 . 0 0 "[ . 1 . 2]" 1
967 2 20 ILE MG 2 24 PHE H 4.000 . 6.000 3.899 3.638 4.310 . 0 0 "[ . 1 . 2]" 1
968 2 25 GLN H 2 26 GLY H 3.100 . 4.300 2.686 2.589 2.860 . 0 0 "[ . 1 . 2]" 1
969 2 24 PHE H 2 25 GLN H 3.000 . 4.100 2.860 2.394 3.138 . 0 0 "[ . 1 . 2]" 1
970 2 24 PHE HA 2 25 GLN H 2.900 . 3.900 2.877 2.721 2.996 . 0 0 "[ . 1 . 2]" 1
971 2 22 ASN HA 2 25 GLN H 3.400 . 4.800 3.900 3.463 4.239 . 0 0 "[ . 1 . 2]" 1
972 2 25 GLN H 2 25 GLN HA 2.600 . 3.500 2.798 2.779 2.824 . 0 0 "[ . 1 . 2]" 1
973 2 25 GLN H 2 25 GLN HB3 2.400 . 3.100 2.550 2.472 2.731 . 0 0 "[ . 1 . 2]" 1
974 2 25 GLN H 2 25 GLN HB2 2.500 . 3.300 2.495 2.318 2.576 . 0 0 "[ . 1 . 2]" 1
975 2 25 GLN HA 2 26 GLY H 3.100 . 4.300 3.506 3.455 3.570 . 0 0 "[ . 1 . 2]" 1
976 2 26 GLY H 2 26 GLY HA2 2.900 . 4.000 2.862 2.817 2.915 . 0 0 "[ . 1 . 2]" 1
977 2 26 GLY H 2 27 GLN H 2.700 . 3.600 2.545 2.343 2.691 . 0 0 "[ . 1 . 2]" 1
978 2 24 PHE H 2 27 GLN H 4.400 . 6.000 4.216 4.007 4.542 . 0 0 "[ . 1 . 2]" 1
979 2 27 GLN H 2 27 GLN HA 2.600 . 3.400 2.943 2.928 2.949 . 0 0 "[ . 1 . 2]" 1
980 2 27 GLN H 2 28 PRO HA 3.500 . 5.100 4.819 4.547 5.053 . 0 0 "[ . 1 . 2]" 1
981 2 26 GLY HA3 2 27 GLN H 3.200 . 4.500 2.969 2.719 3.269 . 0 0 "[ . 1 . 2]" 1
982 2 82 PHE H 2 82 PHE HB2 3.400 . 4.800 2.592 2.409 2.712 . 0 0 "[ . 1 . 2]" 1
983 2 27 GLN H 2 28 PRO HD2 3.400 . 4.900 4.483 4.300 4.645 . 0 0 "[ . 1 . 2]" 1
984 2 27 GLN H 2 27 GLN HB3 2.900 . 4.000 3.093 2.618 3.548 . 0 0 "[ . 1 . 2]" 1
985 2 27 GLN H 2 27 GLN HB2 2.700 . 3.600 2.589 2.425 2.944 . 0 0 "[ . 1 . 2]" 1
986 2 29 ASP H 2 30 ILE H 2.600 . 3.400 2.633 2.545 2.768 . 0 0 "[ . 1 . 2]" 1
987 2 29 ASP H 2 32 LYS H 3.500 . 5.100 4.860 4.713 4.980 . 0 0 "[ . 1 . 2]" 1
988 2 27 GLN HA 2 29 ASP H 3.300 . 4.700 3.324 3.198 3.467 . 0 0 "[ . 1 . 2]" 1
989 2 28 PRO HA 2 29 ASP H 3.200 . 4.500 3.435 3.364 3.488 . 0 0 "[ . 1 . 2]" 1
990 2 29 ASP H 2 29 ASP HA 2.600 . 3.500 2.824 2.783 2.852 . 0 0 "[ . 1 . 2]" 1
991 2 28 PRO HD3 2 29 ASP H 3.600 . 5.200 3.890 3.718 4.005 . 0 0 "[ . 1 . 2]" 1
992 2 28 PRO HD2 2 29 ASP H 3.200 . 4.500 2.741 2.433 2.952 . 0 0 "[ . 1 . 2]" 1
993 2 29 ASP H 2 29 ASP HB3 2.900 . 3.900 3.135 2.500 3.599 . 0 0 "[ . 1 . 2]" 1
994 2 29 ASP H 2 29 ASP HB2 2.600 . 3.400 2.724 2.450 3.598 0.198 6 0 "[ . 1 . 2]" 1
995 2 27 GLN HB3 2 29 ASP H 3.900 . 5.800 3.303 2.302 3.824 . 0 0 "[ . 1 . 2]" 1
996 2 28 PRO HB2 2 29 ASP H 3.200 . 4.500 3.452 3.288 3.646 . 0 0 "[ . 1 . 2]" 1
997 2 28 PRO HG2 2 29 ASP H 2.700 . 3.600 2.823 2.560 3.137 . 0 0 "[ . 1 . 2]" 1
998 2 29 ASP H 2 30 ILE HG13 4.200 . 6.000 5.674 5.524 5.851 . 0 0 "[ . 1 . 2]" 1
999 2 29 ASP H 2 30 ILE HG12 4.500 . 6.000 4.012 3.817 4.207 . 0 0 "[ . 1 . 2]" 1
1000 2 30 ILE H 2 31 TYR H 2.600 . 3.400 2.680 2.546 2.817 . 0 0 "[ . 1 . 2]" 1
1001 2 27 GLN HA 2 30 ILE H 5.300 . 6.000 4.557 4.336 4.706 . 0 0 "[ . 1 . 2]" 1
1002 2 28 PRO HA 2 30 ILE H 3.600 . 5.200 4.188 3.850 4.465 . 0 0 "[ . 1 . 2]" 1
1003 2 30 ILE H 2 30 ILE HA 2.700 . 3.600 2.823 2.807 2.853 . 0 0 "[ . 1 . 2]" 1
1004 2 30 ILE H 2 31 TYR HB2 4.100 . 6.000 5.006 4.819 5.184 . 0 0 "[ . 1 . 2]" 1
1005 2 29 ASP HB3 2 30 ILE H 4.000 . 6.000 3.491 2.565 4.109 . 0 0 "[ . 1 . 2]" 1
1006 2 29 ASP HB2 2 30 ILE H 3.500 . 5.000 3.162 2.439 3.977 . 0 0 "[ . 1 . 2]" 1
1007 2 27 GLN HB3 2 30 ILE H 3.000 . 4.100 3.102 2.773 3.828 . 0 0 "[ . 1 . 2]" 1
1008 2 30 ILE H 2 30 ILE HB 2.400 . 3.100 2.619 2.532 2.700 . 0 0 "[ . 1 . 2]" 1
1009 2 30 ILE H 2 30 ILE HG13 2.900 . 4.000 3.517 3.430 3.611 . 0 0 "[ . 1 . 2]" 1
1010 2 30 ILE H 2 30 ILE HG12 2.500 . 6.000 1.980 1.851 2.130 . 0 0 "[ . 1 . 2]" 1
1011 2 30 ILE H 2 30 ILE MD 3.800 . 5.600 3.037 2.882 3.228 . 0 0 "[ . 1 . 2]" 1
1012 2 30 ILE H 2 30 ILE MG 3.900 . 5.800 3.766 3.759 3.774 . 0 0 "[ . 1 . 2]" 1
1013 2 31 TYR H 2 32 LYS H 2.600 . 3.400 2.757 2.648 2.827 . 0 0 "[ . 1 . 2]" 1
1014 2 28 PRO HA 2 31 TYR H 3.200 . 4.500 3.424 3.231 3.796 . 0 0 "[ . 1 . 2]" 1
1015 2 31 TYR H 2 31 TYR HA 2.900 . 3.900 2.808 2.787 2.832 . 0 0 "[ . 1 . 2]" 1
1016 2 24 PHE HB3 2 31 TYR H 3.500 . 5.100 3.930 3.235 4.357 . 0 0 "[ . 1 . 2]" 1
1017 2 30 ILE HA 2 31 TYR H 3.400 . 4.800 3.547 3.514 3.573 . 0 0 "[ . 1 . 2]" 1
1018 2 31 TYR H 2 31 TYR QB 2.300 . 2.900 2.242 2.225 2.254 . 0 0 "[ . 1 . 2]" 1
1019 2 31 TYR H 2 32 LYS QB 3.900 . 5.800 4.614 4.395 4.776 . 0 0 "[ . 1 . 2]" 1
1020 2 30 ILE HB 2 31 TYR H 2.600 . 3.500 2.485 2.235 2.714 . 0 0 "[ . 1 . 2]" 1
1021 2 30 ILE HG12 2 31 TYR H 4.200 . 6.000 4.019 3.836 4.194 . 0 0 "[ . 1 . 2]" 1
1022 2 30 ILE MG 2 31 TYR H 3.800 . 5.600 3.479 3.222 3.636 . 0 0 "[ . 1 . 2]" 1
1023 2 29 ASP HA 2 32 LYS H 3.200 . 4.500 3.720 3.512 3.902 . 0 0 "[ . 1 . 2]" 1
1024 2 31 TYR HA 2 32 LYS H 3.600 . 5.200 3.558 3.536 3.568 . 0 0 "[ . 1 . 2]" 1
1025 2 32 LYS H 2 32 LYS HA 2.700 . 3.600 2.802 2.784 2.818 . 0 0 "[ . 1 . 2]" 1
1026 2 31 TYR QB 2 32 LYS H 2.600 . 3.500 2.364 2.243 2.575 . 0 0 "[ . 1 . 2]" 1
1027 2 32 LYS H 2 32 LYS QB 2.300 . 3.000 2.362 2.242 2.488 . 0 0 "[ . 1 . 2]" 1
1028 2 32 LYS H 2 33 ALA MB 4.100 . 6.000 4.342 4.270 4.408 . 0 0 "[ . 1 . 2]" 1
1029 2 32 LYS H 2 32 LYS HG2 3.500 . 5.000 3.524 2.184 4.607 . 0 0 "[ . 1 . 2]" 1
1030 2 33 ALA H 2 34 PHE H 2.800 . 3.800 2.744 2.587 2.862 . 0 0 "[ . 1 . 2]" 1
1031 2 29 ASP HA 2 33 ALA H 3.800 . 5.600 4.049 3.858 4.187 . 0 0 "[ . 1 . 2]" 1
1032 2 33 ALA H 2 33 ALA HA 2.500 . 3.300 2.813 2.780 2.841 . 0 0 "[ . 1 . 2]" 1
1033 2 32 LYS QB 2 33 ALA H 2.500 . 3.300 2.684 2.466 2.887 . 0 0 "[ . 1 . 2]" 1
1034 2 33 ALA H 2 33 ALA MB 2.200 . 2.800 2.235 2.214 2.244 . 0 0 "[ . 1 . 2]" 1
1035 2 34 PHE H 2 35 LEU H 2.800 . 3.800 2.845 2.775 2.982 . 0 0 "[ . 1 . 2]" 1
1036 2 34 PHE H 2 34 PHE QD 4.100 . 6.000 4.168 4.141 4.181 . 0 0 "[ . 1 . 2]" 1
1037 2 31 TYR HA 2 34 PHE H 3.400 . 4.800 3.617 3.414 3.774 . 0 0 "[ . 1 . 2]" 1
1038 2 34 PHE H 2 34 PHE HB3 2.500 . 3.300 2.552 2.487 2.631 . 0 0 "[ . 1 . 2]" 1
1039 2 34 PHE H 2 34 PHE HB2 2.500 . 3.300 2.487 2.404 2.545 . 0 0 "[ . 1 . 2]" 1
1040 2 33 ALA MB 2 34 PHE H 2.700 . 3.600 2.358 2.188 2.616 . 0 0 "[ . 1 . 2]" 1
1041 2 34 PHE QD 2 35 LEU H 3.300 . 4.700 3.672 3.139 3.896 . 0 0 "[ . 1 . 2]" 1
1042 2 31 TYR HA 2 35 LEU H 3.900 . 5.800 4.247 4.084 4.355 . 0 0 "[ . 1 . 2]" 1
1043 2 34 PHE HA 2 35 LEU H 3.800 . 5.600 3.561 3.545 3.573 . 0 0 "[ . 1 . 2]" 1
1044 2 32 LYS HA 2 35 LEU H 3.200 . 4.500 3.665 3.516 3.861 . 0 0 "[ . 1 . 2]" 1
1045 2 34 PHE HB2 2 35 LEU H 3.900 . 5.800 3.747 3.565 3.859 . 0 0 "[ . 1 . 2]" 1
1046 2 35 LEU H 2 36 GLU QB 4.300 . 6.000 4.515 4.402 4.738 . 0 0 "[ . 1 . 2]" 1
1047 2 35 LEU H 2 35 LEU HB3 3.100 . 4.300 3.591 3.585 3.599 . 0 0 "[ . 1 . 2]" 1
1048 2 35 LEU H 2 35 LEU HG 2.300 . 3.000 2.264 2.121 2.384 . 0 0 "[ . 1 . 2]" 1
1049 2 35 LEU H 2 35 LEU HB2 2.900 . 3.900 2.494 2.434 2.569 . 0 0 "[ . 1 . 2]" 1
1050 2 35 LEU H 2 35 LEU QD 3.300 . 4.700 3.042 2.962 3.125 . 0 0 "[ . 1 . 2]" 1
1051 2 36 GLU H 2 37 ILE H 2.600 . 3.500 2.665 2.554 2.798 . 0 0 "[ . 1 . 2]" 1
1052 2 35 LEU H 2 36 GLU H 2.800 . 3.800 2.716 2.653 2.846 . 0 0 "[ . 1 . 2]" 1
1053 2 36 GLU H 2 36 GLU QB 2.200 . 2.800 2.281 2.227 2.409 . 0 0 "[ . 1 . 2]" 1
1054 2 35 LEU HG 2 36 GLU H 5.100 . 6.000 4.386 4.227 4.534 . 0 0 "[ . 1 . 2]" 1
1055 2 35 LEU HB2 2 36 GLU H 3.100 . 4.300 2.681 2.415 2.883 . 0 0 "[ . 1 . 2]" 1
1056 2 35 LEU QD 2 36 GLU H 4.300 . 6.000 4.115 3.988 4.206 . 0 0 "[ . 1 . 2]" 1
1057 2 34 PHE HA 2 37 ILE H 3.700 . 5.500 3.469 3.320 3.794 . 0 0 "[ . 1 . 2]" 1
1058 2 37 ILE H 2 37 ILE HA 2.800 . 3.800 2.812 2.772 2.831 . 0 0 "[ . 1 . 2]" 1
1059 2 36 GLU QG 2 37 ILE H 4.100 . 6.000 3.871 3.484 4.271 . 0 0 "[ . 1 . 2]" 1
1060 2 36 GLU QB 2 37 ILE H 2.700 . 3.600 2.598 2.243 2.789 . 0 0 "[ . 1 . 2]" 1
1061 2 37 ILE H 2 37 ILE HB 2.000 . 2.500 2.015 1.940 2.082 . 0 0 "[ . 1 . 2]" 1
1062 2 37 ILE H 2 37 ILE HG12 3.800 . 5.600 3.425 3.304 3.495 . 0 0 "[ . 1 . 2]" 1
1063 2 37 ILE H 2 37 ILE MG 3.500 . 5.000 3.768 3.762 3.776 . 0 0 "[ . 1 . 2]" 1
1064 2 37 ILE H 2 37 ILE MD 3.600 . 5.200 3.531 3.468 3.615 . 0 0 "[ . 1 . 2]" 1
1065 2 38 LEU H 2 39 HIS H 2.800 . 3.800 2.674 2.597 2.794 . 0 0 "[ . 1 . 2]" 1
1066 2 37 ILE H 2 38 LEU H 2.700 . 3.600 2.765 2.707 2.888 . 0 0 "[ . 1 . 2]" 1
1067 2 38 LEU H 2 38 LEU HA 2.800 . 3.800 2.810 2.777 2.830 . 0 0 "[ . 1 . 2]" 1
1068 2 37 ILE HA 2 38 LEU H 3.800 . 5.600 3.566 3.549 3.581 . 0 0 "[ . 1 . 2]" 1
1069 2 35 LEU HA 2 38 LEU H 3.400 . 4.800 3.576 3.447 3.796 . 0 0 "[ . 1 . 2]" 1
1070 2 37 ILE HB 2 38 LEU H 2.500 . 3.300 2.375 2.248 2.499 . 0 0 "[ . 1 . 2]" 1
1071 2 38 LEU H 2 38 LEU HB3 3.100 . 4.300 3.588 3.570 3.606 . 0 0 "[ . 1 . 2]" 1
1072 2 38 LEU H 2 38 LEU HG 2.400 . 3.100 2.331 1.929 3.224 0.124 7 0 "[ . 1 . 2]" 1
1073 2 38 LEU H 2 38 LEU HB2 2.700 . 3.600 2.622 2.407 2.787 . 0 0 "[ . 1 . 2]" 1
1074 2 37 ILE MG 2 38 LEU H 3.300 . 4.700 3.206 3.060 3.356 . 0 0 "[ . 1 . 2]" 1
1075 2 38 LEU H 2 38 LEU QD 3.700 . 5.400 2.444 1.848 2.975 0.152 7 0 "[ . 1 . 2]" 1
1076 2 39 HIS H 2 40 THR H 2.800 . 3.800 2.747 2.646 2.818 . 0 0 "[ . 1 . 2]" 1
1077 2 39 HIS H 2 39 HIS HD2 3.600 . 5.200 3.579 2.574 4.576 . 0 0 "[ . 1 . 2]" 1
1078 2 39 HIS H 2 39 HIS HA 2.900 . 3.900 2.811 2.793 2.839 . 0 0 "[ . 1 . 2]" 1
1079 2 36 GLU HA 2 39 HIS H 3.400 . 4.900 3.516 3.386 3.689 . 0 0 "[ . 1 . 2]" 1
1080 2 38 LEU HA 2 39 HIS H 3.600 . 5.200 3.521 3.491 3.548 . 0 0 "[ . 1 . 2]" 1
1081 2 35 LEU HA 2 39 HIS H 3.400 . 4.900 4.059 3.821 4.272 . 0 0 "[ . 1 . 2]" 1
1082 2 39 HIS H 2 39 HIS HB3 3.200 . 4.500 3.384 2.949 3.600 . 0 0 "[ . 1 . 2]" 1
1083 2 39 HIS H 2 39 HIS HB2 2.400 . 3.100 2.242 2.110 2.492 . 0 0 "[ . 1 . 2]" 1
1084 2 38 LEU HB3 2 39 HIS H 3.200 . 4.500 3.827 3.535 4.027 . 0 0 "[ . 1 . 2]" 1
1085 2 38 LEU HG 2 39 HIS H 4.300 . 6.000 4.273 3.938 4.945 . 0 0 "[ . 1 . 2]" 1
1086 2 38 LEU HB2 2 39 HIS H 3.000 . 4.100 2.723 2.536 2.867 . 0 0 "[ . 1 . 2]" 1
1087 2 38 LEU QD 2 39 HIS H 4.300 . 6.000 3.983 3.740 4.083 . 0 0 "[ . 1 . 2]" 1
1088 2 40 THR H 2 41 TYR H 2.800 . 3.800 2.673 2.555 2.823 . 0 0 "[ . 1 . 2]" 1
1089 2 40 THR H 2 40 THR HB 2.500 . 3.300 2.602 2.530 2.652 . 0 0 "[ . 1 . 2]" 1
1090 2 39 HIS HA 2 40 THR H 3.900 . 5.800 3.556 3.534 3.570 . 0 0 "[ . 1 . 2]" 1
1091 2 40 THR H 2 40 THR HA 2.800 . 3.800 2.805 2.787 2.831 . 0 0 "[ . 1 . 2]" 1
1092 2 37 ILE HA 2 40 THR H 3.500 . 5.000 3.712 3.496 4.018 . 0 0 "[ . 1 . 2]" 1
1093 2 39 HIS HB3 2 40 THR H 3.200 . 4.500 2.996 2.206 3.432 . 0 0 "[ . 1 . 2]" 1
1094 2 39 HIS HB2 2 40 THR H 2.900 . 4.000 2.827 2.363 3.439 . 0 0 "[ . 1 . 2]" 1
1095 2 40 THR H 2 40 THR MG 4.000 . 6.000 3.766 3.761 3.772 . 0 0 "[ . 1 . 2]" 1
1096 2 41 TYR H 2 42 GLN H 2.700 . 3.600 2.741 2.584 2.897 . 0 0 "[ . 1 . 2]" 1
1097 2 41 TYR H 2 41 TYR QD 4.100 . 6.000 4.192 4.171 4.204 . 0 0 "[ . 1 . 2]" 1
1098 2 40 THR HB 2 41 TYR H 2.800 . 3.800 2.646 2.356 2.851 . 0 0 "[ . 1 . 2]" 1
1099 2 41 TYR H 2 41 TYR HA 3.000 . 4.200 2.804 2.781 2.826 . 0 0 "[ . 1 . 2]" 1
1100 2 40 THR HA 2 41 TYR H 3.600 . 5.200 3.526 3.486 3.563 . 0 0 "[ . 1 . 2]" 1
1101 2 38 LEU HA 2 41 TYR H 3.400 . 4.900 3.463 3.194 3.714 . 0 0 "[ . 1 . 2]" 1
1102 2 37 ILE HA 2 41 TYR H 4.000 . 6.000 4.291 4.103 4.443 . 0 0 "[ . 1 . 2]" 1
1103 2 41 TYR H 2 41 TYR HB3 2.500 . 3.300 2.506 2.421 2.622 . 0 0 "[ . 1 . 2]" 1
1104 2 41 TYR H 2 41 TYR HB2 2.600 . 3.400 2.543 2.422 2.635 . 0 0 "[ . 1 . 2]" 1
1105 2 40 THR MG 2 41 TYR H 3.800 . 5.600 3.570 3.368 3.763 . 0 0 "[ . 1 . 2]" 1
1106 2 41 TYR H 2 59 LEU QD 2.900 . 3.900 3.349 2.589 3.947 0.047 20 0 "[ . 1 . 2]" 1
1107 2 37 ILE MG 2 41 TYR H 3.600 . 5.200 4.187 4.078 4.356 . 0 0 "[ . 1 . 2]" 1
1108 2 42 GLN H 2 43 LYS H 2.800 . 3.800 2.637 2.500 2.732 . 0 0 "[ . 1 . 2]" 1
1109 2 41 TYR QD 2 42 GLN H 3.200 . 4.500 3.266 2.789 3.822 . 0 0 "[ . 1 . 2]" 1
1110 2 39 HIS HA 2 42 GLN H 3.300 . 4.700 3.598 3.327 3.931 . 0 0 "[ . 1 . 2]" 1
1111 2 41 TYR HA 2 42 GLN H 4.200 . 6.000 3.541 3.479 3.569 . 0 0 "[ . 1 . 2]" 1
1112 2 42 GLN H 2 42 GLN HA 2.700 . 3.600 2.821 2.792 2.852 . 0 0 "[ . 1 . 2]" 1
1113 2 41 TYR HB3 2 42 GLN H 2.600 . 3.500 2.502 2.196 2.960 . 0 0 "[ . 1 . 2]" 1
1114 2 41 TYR HB2 2 42 GLN H 4.100 . 6.000 3.834 3.618 4.126 . 0 0 "[ . 1 . 2]" 1
1115 2 42 GLN H 2 42 GLN HG3 4.000 . 6.000 4.437 3.584 4.575 . 0 0 "[ . 1 . 2]" 1
1116 2 42 GLN H 2 42 GLN HG2 3.700 . 5.400 4.333 2.228 4.619 . 0 0 "[ . 1 . 2]" 1
1117 2 42 GLN H 2 42 GLN QB 2.300 . 3.000 2.247 2.121 2.418 . 0 0 "[ . 1 . 2]" 1
1118 1 4 ILE MG 2 42 GLN H 3.800 . 5.600 3.861 3.129 4.916 . 0 0 "[ . 1 . 2]" 1
1119 1 8 LEU QD 2 42 GLN H 3.800 . 5.600 3.939 3.320 4.535 . 0 0 "[ . 1 . 2]" 1
1120 2 43 LYS H 2 44 GLU H 2.500 . 3.300 2.732 2.619 2.862 . 0 0 "[ . 1 . 2]" 1
1121 2 42 GLN HA 2 43 LYS H 3.000 . 4.100 3.522 3.480 3.563 . 0 0 "[ . 1 . 2]" 1
1122 2 39 HIS HA 2 43 LYS H 4.100 . 6.000 4.264 4.107 4.410 . 0 0 "[ . 1 . 2]" 1
1123 2 42 GLN HG2 2 43 LYS H 4.300 . 6.000 4.276 3.576 5.094 . 0 0 "[ . 1 . 2]" 1
1124 2 42 GLN QB 2 43 LYS H 2.700 . 3.600 2.651 2.352 2.853 . 0 0 "[ . 1 . 2]" 1
1125 2 43 LYS H 2 43 LYS QB 2.200 . 2.800 2.309 2.230 2.528 . 0 0 "[ . 1 . 2]" 1
1126 2 43 LYS H 2 43 LYS QD 5.000 . 6.000 4.317 3.713 4.661 . 0 0 "[ . 1 . 2]" 1
1127 2 43 LYS H 2 43 LYS HG3 3.800 . 5.600 3.893 2.067 4.548 . 0 0 "[ . 1 . 2]" 1
1128 2 43 LYS H 2 43 LYS HG2 4.600 . 6.000 4.156 3.202 4.467 . 0 0 "[ . 1 . 2]" 1
1129 2 44 GLU H 2 44 GLU HG3 2.900 . 3.900 3.488 2.103 4.015 0.115 10 0 "[ . 1 . 2]" 1
1130 2 46 ARG H 2 46 ARG HA 2.700 . 3.600 2.814 2.780 2.847 . 0 0 "[ . 1 . 2]" 1
1131 2 43 LYS HA 2 46 ARG H 3.200 . 4.500 3.727 3.445 3.921 . 0 0 "[ . 1 . 2]" 1
1132 2 46 ARG H 2 46 ARG QD 5.800 . 6.000 4.478 3.830 4.729 . 0 0 "[ . 1 . 2]" 1
1133 2 45 GLN HB3 2 46 ARG H 3.000 . 4.100 2.879 2.185 3.825 . 0 0 "[ . 1 . 2]" 1
1134 2 46 ARG H 2 46 ARG HG3 3.400 . 4.900 4.359 2.357 4.509 . 0 0 "[ . 1 . 2]" 1
1135 2 46 ARG H 2 46 ARG HG2 4.300 . 6.000 4.406 3.524 4.492 . 0 0 "[ . 1 . 2]" 1
1136 2 46 ARG H 2 47 ASN H 2.600 . 3.400 2.693 2.586 2.862 . 0 0 "[ . 1 . 2]" 1
1137 2 47 ASN H 2 48 ALA H 2.400 . 3.100 2.669 2.549 2.804 . 0 0 "[ . 1 . 2]" 1
1138 2 47 ASN H 2 47 ASN HA 2.700 . 3.600 2.810 2.790 2.838 . 0 0 "[ . 1 . 2]" 1
1139 2 44 GLU HA 2 47 ASN H 3.200 . 4.400 3.596 3.424 3.825 . 0 0 "[ . 1 . 2]" 1
1140 2 46 ARG HA 2 47 ASN H 3.200 . 4.500 3.543 3.515 3.569 . 0 0 "[ . 1 . 2]" 1
1141 2 47 ASN H 2 47 ASN HB3 2.700 . 3.600 3.117 2.527 3.596 . 0 0 "[ . 1 . 2]" 1
1142 2 47 ASN H 2 47 ASN HB2 2.700 . 3.600 2.450 2.288 2.542 . 0 0 "[ . 1 . 2]" 1
1143 2 46 ARG QB 2 47 ASN H 2.500 . 3.300 2.501 2.287 2.673 . 0 0 "[ . 1 . 2]" 1
1144 2 46 ARG HG3 2 47 ASN H 4.200 . 6.000 4.711 4.362 4.847 . 0 0 "[ . 1 . 2]" 1
1145 2 46 ARG HG2 2 47 ASN H 3.700 . 5.400 3.783 3.455 4.902 . 0 0 "[ . 1 . 2]" 1
1146 2 46 ARG QD 2 47 ASN H 3.500 . 5.100 4.507 4.061 4.887 . 0 0 "[ . 1 . 2]" 1
1147 2 47 ASN H 2 49 LYS H 5.000 . 6.000 4.268 3.964 4.631 . 0 0 "[ . 1 . 2]" 1
1148 2 48 ALA H 2 49 LYS H 2.600 . 3.400 2.671 2.504 2.784 . 0 0 "[ . 1 . 2]" 1
1149 2 47 ASN HA 2 48 ALA H 3.100 . 4.300 3.516 3.446 3.562 . 0 0 "[ . 1 . 2]" 1
1150 2 48 ALA H 2 48 ALA HA 2.500 . 3.300 2.825 2.787 2.870 . 0 0 "[ . 1 . 2]" 1
1151 2 47 ASN HB3 2 48 ALA H 2.700 . 3.600 3.152 2.270 3.952 0.352 18 0 "[ . 1 . 2]" 1
1152 2 47 ASN HB2 2 48 ALA H 3.100 . 4.300 3.295 2.701 4.015 . 0 0 "[ . 1 . 2]" 1
1153 2 48 ALA H 2 48 ALA MB 2.200 . 2.800 2.239 2.215 2.261 . 0 0 "[ . 1 . 2]" 1
1154 2 49 LYS H 2 50 GLU H 2.600 . 3.400 2.575 2.420 2.736 . 0 0 "[ . 1 . 2]" 1
1155 2 47 ASN HA 2 49 LYS H 5.300 . 6.000 4.530 4.237 4.826 . 0 0 "[ . 1 . 2]" 1
1156 2 49 LYS H 2 49 LYS HA 2.600 . 3.500 2.836 2.814 2.879 . 0 0 "[ . 1 . 2]" 1
1157 2 46 ARG HA 2 49 LYS H 2.900 . 3.900 3.541 3.349 3.737 . 0 0 "[ . 1 . 2]" 1
1158 2 48 ALA HA 2 49 LYS H 3.200 . 4.500 3.544 3.509 3.577 . 0 0 "[ . 1 . 2]" 1
1159 2 49 LYS H 2 49 LYS QB 2.200 . 2.800 2.350 2.128 2.561 . 0 0 "[ . 1 . 2]" 1
1160 2 49 LYS H 2 49 LYS QD 4.000 . 6.000 4.072 3.499 4.705 . 0 0 "[ . 1 . 2]" 1
1161 2 49 LYS H 2 49 LYS HG3 3.800 . 5.600 3.579 2.195 4.598 . 0 0 "[ . 1 . 2]" 1
1162 2 48 ALA MB 2 49 LYS H 2.500 . 3.300 2.479 2.272 2.724 . 0 0 "[ . 1 . 2]" 1
1163 2 50 GLU H 2 50 GLU HB3 2.900 . 4.000 2.753 2.463 3.601 . 0 0 "[ . 1 . 2]" 1
1164 2 51 ALA H 2 51 ALA MB 2.300 . 2.900 2.260 2.232 2.419 . 0 0 "[ . 1 . 2]" 1
1165 2 50 GLU HB3 2 51 ALA H 3.000 . 4.100 3.018 2.369 4.006 . 0 0 "[ . 1 . 2]" 1
1166 2 51 ALA H 2 52 GLY H 2.900 . 3.900 2.650 2.460 3.224 . 0 0 "[ . 1 . 2]" 1
1167 2 51 ALA HA 2 52 GLY H 2.900 . 4.000 3.364 2.719 3.543 . 0 0 "[ . 1 . 2]" 1
1168 2 52 GLY H 2 52 GLY HA3 2.700 . 3.600 2.768 2.293 2.955 . 0 0 "[ . 1 . 2]" 1
1169 2 52 GLY H 2 52 GLY HA2 2.300 . 3.000 2.465 2.293 2.798 . 0 0 "[ . 1 . 2]" 1
1170 2 51 ALA MB 2 52 GLY H 3.000 . 4.100 2.936 2.522 3.708 . 0 0 "[ . 1 . 2]" 1
1171 2 52 GLY H 2 53 GLY H 3.100 . 4.300 3.593 2.628 4.318 0.018 2 0 "[ . 1 . 2]" 1
1172 2 51 ALA MB 2 53 GLY H 3.400 . 4.800 3.917 2.477 4.708 . 0 0 "[ . 1 . 2]" 1
1173 2 53 GLY HA2 2 54 ASN H 3.000 . 4.100 3.064 2.247 3.563 . 0 0 "[ . 1 . 2]" 1
1174 2 54 ASN H 2 54 ASN HB3 3.100 . 4.300 3.358 2.473 4.060 . 0 0 "[ . 1 . 2]" 1
1175 2 54 ASN H 2 54 ASN HB2 2.800 . 3.800 2.864 2.463 3.764 . 0 0 "[ . 1 . 2]" 1
1176 2 54 ASN H 2 55 TYR H 3.300 . 4.700 3.835 1.895 4.627 0.005 15 0 "[ . 1 . 2]" 1
1177 2 55 TYR H 2 55 TYR QD 3.900 . 5.800 4.405 4.207 4.545 . 0 0 "[ . 1 . 2]" 1
1178 2 55 TYR H 2 55 TYR HA 2.800 . 3.800 2.822 2.266 2.940 . 0 0 "[ . 1 . 2]" 1
1179 2 55 TYR H 2 55 TYR HB3 2.600 . 3.500 2.941 2.471 3.634 0.134 2 0 "[ . 1 . 2]" 1
1180 2 55 TYR QD 2 56 THR H 3.500 . 5.000 3.539 3.110 4.427 . 0 0 "[ . 1 . 2]" 1
1181 2 56 THR H 2 56 THR HB 2.800 . 3.800 3.128 2.792 3.434 . 0 0 "[ . 1 . 2]" 1
1182 2 55 TYR HB3 2 56 THR H 3.500 . 5.000 3.687 2.749 4.381 . 0 0 "[ . 1 . 2]" 1
1183 2 55 TYR HB2 2 56 THR H 4.100 . 6.000 4.106 3.963 4.484 . 0 0 "[ . 1 . 2]" 1
1184 2 56 THR H 2 56 THR MG 3.600 . 5.200 2.303 1.965 2.957 0.035 2 0 "[ . 1 . 2]" 1
1185 2 55 TYR QE 2 58 ALA H 4.200 . 6.000 4.385 3.919 4.912 . 0 0 "[ . 1 . 2]" 1
1186 2 57 PRO HA 2 58 ALA H 2.200 . 2.800 2.363 2.135 2.685 . 0 0 "[ . 1 . 2]" 1
1187 2 57 PRO HB3 2 58 ALA H 3.100 . 4.300 3.326 2.674 4.261 . 0 0 "[ . 1 . 2]" 1
1188 2 57 PRO HB2 2 58 ALA H 3.200 . 4.500 3.018 1.970 3.897 . 0 0 "[ . 1 . 2]" 1
1189 2 58 ALA H 2 58 ALA MB 2.400 . 3.100 2.346 2.230 2.498 . 0 0 "[ . 1 . 2]" 1
1190 2 58 ALA H 2 59 LEU H 2.600 . 3.400 2.319 1.836 2.879 . 0 0 "[ . 1 . 2]" 1
1191 2 59 LEU H 2 60 THR H 5.500 . 6.000 4.306 3.927 4.580 . 0 0 "[ . 1 . 2]" 1
1192 2 57 PRO HA 2 59 LEU H 4.100 . 6.000 4.104 3.349 5.115 . 0 0 "[ . 1 . 2]" 1
1193 2 58 ALA HA 2 59 LEU H 2.900 . 3.900 3.420 3.199 3.571 . 0 0 "[ . 1 . 2]" 1
1194 2 59 LEU H 2 59 LEU HA 2.800 . 3.800 2.926 2.860 2.948 . 0 0 "[ . 1 . 2]" 1
1195 2 44 GLU HG2 2 59 LEU H 3.500 . 5.000 4.275 2.453 5.093 0.093 18 0 "[ . 1 . 2]" 1
1196 2 57 PRO HB3 2 59 LEU H 3.800 . 5.600 3.936 3.168 5.236 . 0 0 "[ . 1 . 2]" 1
1197 2 44 GLU QB 2 59 LEU H 3.600 . 5.200 3.358 2.672 4.170 . 0 0 "[ . 1 . 2]" 1
1198 2 57 PRO HB2 2 59 LEU H 3.000 . 4.100 3.012 2.133 4.069 . 0 0 "[ . 1 . 2]" 1
1199 2 59 LEU H 2 59 LEU HB3 2.800 . 3.800 2.990 2.460 3.427 . 0 0 "[ . 1 . 2]" 1
1200 2 59 LEU H 2 59 LEU HB2 2.600 . 3.400 2.662 2.234 3.284 . 0 0 "[ . 1 . 2]" 1
1201 2 58 ALA MB 2 59 LEU H 2.900 . 3.900 2.841 2.048 3.391 . 0 0 "[ . 1 . 2]" 1
1202 2 59 LEU H 2 59 LEU QD 3.500 . 5.100 3.283 2.012 4.023 . 0 0 "[ . 1 . 2]" 1
1203 2 60 THR H 2 61 GLU H 4.700 . 6.000 4.412 4.341 4.488 . 0 0 "[ . 1 . 2]" 1
1204 2 60 THR H 2 64 VAL H 3.300 . 4.600 3.913 3.500 4.610 0.010 14 0 "[ . 1 . 2]" 1
1205 2 59 LEU HA 2 60 THR H 2.100 . 2.600 2.156 2.133 2.208 . 0 0 "[ . 1 . 2]" 1
1206 2 60 THR H 2 63 GLU HB3 2.600 . 3.500 2.511 1.709 3.600 0.100 12 0 "[ . 1 . 2]" 1
1207 2 60 THR H 2 63 GLU HB2 2.700 . 3.600 2.447 1.870 3.105 . 0 0 "[ . 1 . 2]" 1
1208 2 59 LEU HB3 2 60 THR H 3.400 . 4.800 3.312 2.648 3.904 . 0 0 "[ . 1 . 2]" 1
1209 2 59 LEU HB2 2 60 THR H 4.000 . 6.000 4.357 4.034 4.599 . 0 0 "[ . 1 . 2]" 1
1210 2 60 THR H 2 60 THR MG 2.600 . 3.400 2.824 2.497 3.190 . 0 0 "[ . 1 . 2]" 1
1211 2 59 LEU QD 2 60 THR H 3.600 . 5.200 2.998 2.035 4.268 . 0 0 "[ . 1 . 2]" 1
1212 2 61 GLU H 2 62 GLN H 2.800 . 3.800 2.725 2.626 2.969 . 0 0 "[ . 1 . 2]" 1
1213 2 61 GLU H 2 63 GLU H 5.000 . 6.000 4.221 3.961 4.511 . 0 0 "[ . 1 . 2]" 1
1214 2 60 THR HB 2 61 GLU H 2.300 . 3.000 1.999 1.796 2.505 . 0 0 "[ . 1 . 2]" 1
1215 2 61 GLU H 2 61 GLU HA 2.800 . 3.800 2.802 2.729 2.840 . 0 0 "[ . 1 . 2]" 1
1216 2 60 THR H 2 60 THR HB 2.900 . 4.000 3.792 3.694 3.873 . 0 0 "[ . 1 . 2]" 1
1217 2 61 GLU H 2 61 GLU HG2 3.400 . 4.800 3.452 3.154 4.459 . 0 0 "[ . 1 . 2]" 1
1218 2 61 GLU H 2 61 GLU HB3 3.100 . 4.300 3.538 2.528 3.601 . 0 0 "[ . 1 . 2]" 1
1219 2 61 GLU H 2 61 GLU HB2 2.900 . 3.900 2.527 2.428 2.632 . 0 0 "[ . 1 . 2]" 1
1220 2 60 THR MG 2 61 GLU H 3.900 . 5.800 3.548 3.365 3.760 . 0 0 "[ . 1 . 2]" 1
1221 2 62 GLN H 2 63 GLU H 2.600 . 3.500 2.695 2.569 2.782 . 0 0 "[ . 1 . 2]" 1
1222 2 62 GLN H 2 62 GLN HA 2.700 . 3.600 2.812 2.784 2.852 . 0 0 "[ . 1 . 2]" 1
1223 2 61 GLU HA 2 62 GLN H 3.300 . 4.700 3.540 3.496 3.562 . 0 0 "[ . 1 . 2]" 1
1224 2 62 GLN H 2 62 GLN QG 3.100 . 4.300 3.165 1.909 4.040 . 0 0 "[ . 1 . 2]" 1
1225 2 62 GLN H 2 62 GLN HB2 2.300 . 3.000 2.549 2.287 3.584 0.584 6 1 "[ .+ 1 . 2]" 1
1226 2 61 GLU HB2 2 62 GLN H 2.700 . 3.600 2.609 2.364 3.907 0.307 18 0 "[ . 1 . 2]" 1
1227 2 60 THR MG 2 62 GLN H 4.100 . 6.000 4.481 4.265 4.632 . 0 0 "[ . 1 . 2]" 1
1228 2 63 GLU H 2 64 VAL H 2.500 . 3.300 2.772 2.671 2.901 . 0 0 "[ . 1 . 2]" 1
1229 2 60 THR H 2 63 GLU H 3.800 . 5.600 3.303 2.929 3.774 . 0 0 "[ . 1 . 2]" 1
1230 2 63 GLU H 2 63 GLU HA 2.700 . 3.600 2.789 2.768 2.817 . 0 0 "[ . 1 . 2]" 1
1231 2 62 GLN HA 2 63 GLU H 3.200 . 4.500 3.542 3.510 3.563 . 0 0 "[ . 1 . 2]" 1
1232 2 62 GLN QG 2 63 GLU H 3.700 . 5.400 3.715 2.078 4.329 . 0 0 "[ . 1 . 2]" 1
1233 2 63 GLU H 2 63 GLU HB3 2.400 . 3.100 2.920 2.510 3.590 0.490 11 0 "[ . 1 . 2]" 1
1234 2 60 THR MG 2 63 GLU H 4.900 . 6.000 4.399 4.218 4.739 . 0 0 "[ . 1 . 2]" 1
1235 2 59 LEU QD 2 63 GLU H 4.300 . 6.000 4.724 3.719 5.773 . 0 0 "[ . 1 . 2]" 1
1236 2 62 GLN H 2 64 VAL H 3.400 . 4.800 4.242 4.022 4.525 . 0 0 "[ . 1 . 2]" 1
1237 2 63 GLU HA 2 64 VAL H 3.700 . 5.400 3.549 3.526 3.573 . 0 0 "[ . 1 . 2]" 1
1238 2 64 VAL H 2 64 VAL HA 2.800 . 3.800 2.806 2.785 2.828 . 0 0 "[ . 1 . 2]" 1
1239 2 64 VAL H 2 64 VAL HB 2.300 . 2.900 2.459 2.223 2.896 . 0 0 "[ . 1 . 2]" 1
1240 2 59 LEU QD 2 64 VAL H 3.400 . 4.800 3.755 2.846 4.807 0.007 8 0 "[ . 1 . 2]" 1
1241 2 64 VAL H 2 64 VAL MG2 3.000 . 4.100 2.273 1.869 2.761 0.031 13 0 "[ . 1 . 2]" 1
1242 2 64 VAL H 2 64 VAL MG1 2.800 . 3.800 3.737 3.632 3.765 . 0 0 "[ . 1 . 2]" 1
1243 2 65 TYR H 2 66 ALA H 2.700 . 3.600 2.828 2.734 3.012 . 0 0 "[ . 1 . 2]" 1
1244 2 65 TYR H 2 65 TYR QD 4.200 . 6.000 4.153 3.968 4.200 . 0 0 "[ . 1 . 2]" 1
1245 2 62 GLN HA 2 65 TYR H 3.800 . 5.600 3.664 3.474 3.900 . 0 0 "[ . 1 . 2]" 1
1246 2 65 TYR H 2 65 TYR HA 2.800 . 3.800 2.751 2.724 2.788 . 0 0 "[ . 1 . 2]" 1
1247 2 61 GLU HA 2 65 TYR H 4.400 . 6.000 4.148 3.824 4.320 . 0 0 "[ . 1 . 2]" 1
1248 2 64 VAL HA 2 65 TYR H 3.700 . 5.400 3.569 3.548 3.583 . 0 0 "[ . 1 . 2]" 1
1249 2 65 TYR H 2 65 TYR HB3 2.700 . 3.600 2.674 2.546 2.961 . 0 0 "[ . 1 . 2]" 1
1250 2 65 TYR H 2 65 TYR HB2 2.400 . 3.100 2.406 2.212 2.510 . 0 0 "[ . 1 . 2]" 1
1251 2 64 VAL HB 2 65 TYR H 2.500 . 3.300 2.397 2.282 2.656 . 0 0 "[ . 1 . 2]" 1
1252 2 64 VAL MG2 2 65 TYR H 3.200 . 4.500 3.801 3.281 4.019 . 0 0 "[ . 1 . 2]" 1
1253 2 65 TYR H 2 66 ALA MB 4.000 . 6.000 4.488 4.400 4.625 . 0 0 "[ . 1 . 2]" 1
1254 2 64 VAL MG1 2 65 TYR H 3.300 . 4.700 2.964 2.370 3.643 . 0 0 "[ . 1 . 2]" 1
1255 2 65 TYR QD 2 66 ALA H 4.000 . 6.000 3.741 3.511 3.925 . 0 0 "[ . 1 . 2]" 1
1256 2 63 GLU HA 2 66 ALA H 3.100 . 4.300 3.673 3.433 3.987 . 0 0 "[ . 1 . 2]" 1
1257 2 66 ALA H 2 66 ALA HA 2.600 . 3.500 2.820 2.800 2.837 . 0 0 "[ . 1 . 2]" 1
1258 2 65 TYR HA 2 66 ALA H 3.800 . 5.600 3.527 3.504 3.566 . 0 0 "[ . 1 . 2]" 1
1259 2 65 TYR HB3 2 66 ALA H 2.600 . 3.500 2.661 2.384 2.773 . 0 0 "[ . 1 . 2]" 1
1260 2 65 TYR HB2 2 66 ALA H 4.000 . 6.000 3.862 3.548 3.976 . 0 0 "[ . 1 . 2]" 1
1261 2 66 ALA H 2 66 ALA MB 2.300 . 2.900 2.234 2.220 2.242 . 0 0 "[ . 1 . 2]" 1
1262 2 67 GLN H 2 68 VAL H 2.600 . 3.400 2.834 2.783 2.902 . 0 0 "[ . 1 . 2]" 1
1263 2 66 ALA H 2 67 GLN H 2.700 . 3.600 2.839 2.733 3.031 . 0 0 "[ . 1 . 2]" 1
1264 2 63 GLU HA 2 67 GLN H 3.700 . 5.400 4.181 3.923 4.295 . 0 0 "[ . 1 . 2]" 1
1265 2 66 ALA HA 2 67 GLN H 3.500 . 5.100 3.575 3.565 3.591 . 0 0 "[ . 1 . 2]" 1
1266 2 67 GLN H 2 67 GLN HA 2.700 . 3.600 2.793 2.773 2.819 . 0 0 "[ . 1 . 2]" 1
1267 2 64 VAL HA 2 67 GLN H 3.400 . 4.800 3.638 3.436 4.049 . 0 0 "[ . 1 . 2]" 1
1268 2 67 GLN H 2 67 GLN HG3 2.500 . 3.300 2.428 2.024 4.022 0.722 14 1 "[ . 1 +. 2]" 1
1269 2 67 GLN H 2 67 GLN HG2 3.200 . 4.500 3.143 1.909 3.455 . 0 0 "[ . 1 . 2]" 1
1270 2 67 GLN H 2 67 GLN QB 2.400 . 3.100 2.467 2.298 2.540 . 0 0 "[ . 1 . 2]" 1
1271 2 66 ALA MB 2 67 GLN H 2.500 . 3.300 2.217 2.081 2.373 . 0 0 "[ . 1 . 2]" 1
1272 2 68 VAL H 2 69 ALA H 2.700 . 3.600 2.735 2.659 2.807 . 0 0 "[ . 1 . 2]" 1
1273 2 67 GLN HA 2 68 VAL H 3.500 . 5.000 3.562 3.555 3.571 . 0 0 "[ . 1 . 2]" 1
1274 2 65 TYR HA 2 68 VAL H 3.400 . 4.800 4.018 3.837 4.585 . 0 0 "[ . 1 . 2]" 1
1275 2 68 VAL H 2 68 VAL HA 2.800 . 3.800 2.780 2.770 2.800 . 0 0 "[ . 1 . 2]" 1
1276 2 67 GLN QB 2 68 VAL H 2.600 . 3.400 2.336 2.272 2.443 . 0 0 "[ . 1 . 2]" 1
1277 2 67 GLN HG2 2 68 VAL H 5.400 . 6.000 4.763 4.086 4.918 . 0 0 "[ . 1 . 2]" 1
1278 2 68 VAL H 2 68 VAL HB 2.400 . 3.100 2.633 2.450 2.731 . 0 0 "[ . 1 . 2]" 1
1279 2 68 VAL H 2 69 ALA MB 4.100 . 6.000 4.422 4.353 4.525 . 0 0 "[ . 1 . 2]" 1
1280 2 37 ILE MD 2 68 VAL H 3.400 . 4.900 3.250 2.662 4.292 . 0 0 "[ . 1 . 2]" 1
1281 2 68 VAL H 2 68 VAL QG 3.100 . 4.300 1.919 1.855 2.163 0.045 19 0 "[ . 1 . 2]" 1
1282 2 69 ALA H 2 70 ARG H 2.800 . 3.800 2.586 2.507 2.685 . 0 0 "[ . 1 . 2]" 1
1283 2 69 ALA H 2 69 ALA HA 2.700 . 3.600 2.834 2.812 2.856 . 0 0 "[ . 1 . 2]" 1
1284 2 68 VAL HA 2 69 ALA H 3.600 . 5.200 3.526 3.500 3.547 . 0 0 "[ . 1 . 2]" 1
1285 2 68 VAL HB 2 69 ALA H 2.700 . 3.600 2.730 2.559 2.847 . 0 0 "[ . 1 . 2]" 1
1286 2 69 ALA H 2 69 ALA MB 2.300 . 3.000 2.247 2.236 2.267 . 0 0 "[ . 1 . 2]" 1
1287 2 69 ALA H 2 79 LEU QD 3.900 . 4.800 3.022 2.716 3.443 . 0 0 "[ . 1 . 2]" 1
1288 2 68 VAL QG 2 69 ALA H 3.800 . 5.600 3.292 3.204 3.357 . 0 0 "[ . 1 . 2]" 1
1289 2 70 ARG H 2 71 LEU H 2.600 . 3.400 2.666 2.578 2.746 . 0 0 "[ . 1 . 2]" 1
1290 2 67 GLN HA 2 70 ARG H 3.000 . 4.100 3.381 3.241 3.577 . 0 0 "[ . 1 . 2]" 1
1291 2 69 ALA HA 2 70 ARG H 3.300 . 4.700 3.521 3.492 3.556 . 0 0 "[ . 1 . 2]" 1
1292 2 70 ARG H 2 70 ARG QD 5.400 . 6.000 4.560 4.094 4.760 . 0 0 "[ . 1 . 2]" 1
1293 2 70 ARG H 2 70 ARG QB 2.200 . 2.800 2.233 2.074 2.259 . 0 0 "[ . 1 . 2]" 1
1294 2 68 VAL HB 2 70 ARG H 4.500 . 6.000 5.068 4.886 5.279 . 0 0 "[ . 1 . 2]" 1
1295 2 69 ALA MB 2 70 ARG H 2.600 . 3.500 2.599 2.447 2.746 . 0 0 "[ . 1 . 2]" 1
1296 2 71 LEU H 2 72 PHE H 2.700 . 3.600 2.655 2.464 2.838 . 0 0 "[ . 1 . 2]" 1
1297 2 69 ALA HA 2 71 LEU H 3.700 . 5.400 4.389 4.149 4.688 . 0 0 "[ . 1 . 2]" 1
1298 2 68 VAL HA 2 71 LEU H 3.000 . 4.100 3.505 3.418 3.589 . 0 0 "[ . 1 . 2]" 1
1299 2 70 ARG QB 2 71 LEU H 2.700 . 3.600 2.561 2.368 2.793 . 0 0 "[ . 1 . 2]" 1
1300 2 71 LEU H 2 71 LEU HG 2.600 . 3.500 2.411 2.207 3.551 0.051 15 0 "[ . 1 . 2]" 1
1301 2 71 LEU H 2 71 LEU HB3 3.000 . 4.100 3.513 2.086 3.596 . 0 0 "[ . 1 . 2]" 1
1302 2 71 LEU H 2 71 LEU HB2 2.600 . 3.400 2.512 2.327 3.327 . 0 0 "[ . 1 . 2]" 1
1303 2 70 ARG H 2 72 PHE H 4.100 . 6.000 4.147 3.943 4.461 . 0 0 "[ . 1 . 2]" 1
1304 2 72 PHE H 2 73 LYS H 3.000 . 4.100 3.880 3.030 4.140 0.040 8 0 "[ . 1 . 2]" 1
1305 2 72 PHE H 2 72 PHE QD 3.200 . 4.500 3.244 2.966 3.484 . 0 0 "[ . 1 . 2]" 1
1306 2 72 PHE H 2 72 PHE HA 2.900 . 4.000 2.932 2.903 2.948 . 0 0 "[ . 1 . 2]" 1
1307 2 72 PHE H 2 72 PHE HB3 3.400 . 4.900 3.695 3.634 3.763 . 0 0 "[ . 1 . 2]" 1
1308 2 69 ALA HA 2 72 PHE H 3.200 . 4.500 3.476 3.276 3.810 . 0 0 "[ . 1 . 2]" 1
1309 2 72 PHE H 2 72 PHE HB2 2.400 . 3.100 2.573 2.405 2.705 . 0 0 "[ . 1 . 2]" 1
1310 2 71 LEU HB3 2 72 PHE H 3.100 . 4.300 3.599 3.328 3.918 . 0 0 "[ . 1 . 2]" 1
1311 2 71 LEU HG 2 72 PHE H 4.400 . 6.000 4.295 2.726 5.000 . 0 0 "[ . 1 . 2]" 1
1312 2 71 LEU HB2 2 72 PHE H 2.700 . 3.600 2.696 2.304 4.298 0.698 1 1 "[+ . 1 . 2]" 1
1313 2 73 LYS H 2 74 ASN H 3.500 . 5.000 2.798 1.996 4.625 0.004 17 0 "[ . 1 . 2]" 1
1314 2 72 PHE HA 2 73 LYS H 3.000 . 4.100 2.312 2.163 2.809 . 0 0 "[ . 1 . 2]" 1
1315 2 72 PHE HB3 2 73 LYS H 4.100 . 6.000 4.044 3.803 4.480 . 0 0 "[ . 1 . 2]" 1
1316 2 70 ARG H 2 70 ARG HA 2.600 . 3.400 2.814 2.786 2.838 . 0 0 "[ . 1 . 2]" 1
1317 2 73 LYS H 2 73 LYS HA 2.400 . 3.100 2.900 2.776 2.942 . 0 0 "[ . 1 . 2]" 1
1318 2 72 PHE HB2 2 73 LYS H 4.900 . 6.000 4.410 4.204 4.538 . 0 0 "[ . 1 . 2]" 1
1319 2 73 LYS H 2 73 LYS HB3 2.400 . 3.100 2.638 2.439 3.527 0.427 19 0 "[ . 1 . 2]" 1
1320 2 73 LYS H 2 73 LYS HB2 2.600 . 3.400 2.735 2.201 3.550 0.150 6 0 "[ . 1 . 2]" 1
1321 2 73 LYS H 2 73 LYS QD 3.900 . 5.800 4.509 4.026 4.891 . 0 0 "[ . 1 . 2]" 1
1322 2 73 LYS H 2 73 LYS QG 3.200 . 4.500 3.815 2.026 4.066 . 0 0 "[ . 1 . 2]" 1
1323 2 71 LEU H 2 71 LEU QD 3.400 . 4.800 3.045 1.976 3.486 0.024 15 0 "[ . 1 . 2]" 1
1324 2 73 LYS HA 2 74 ASN H 2.600 . 3.400 3.102 2.138 3.445 0.045 20 0 "[ . 1 . 2]" 1
1325 2 74 ASN H 2 74 ASN QB 3.100 . 4.300 2.764 2.317 3.330 . 0 0 "[ . 1 . 2]" 1
1326 2 73 LYS HB3 2 74 ASN H 3.500 . 5.000 3.427 2.983 4.232 . 0 0 "[ . 1 . 2]" 1
1327 2 73 LYS QG 2 74 ASN H 3.400 . 4.800 3.733 2.405 4.526 . 0 0 "[ . 1 . 2]" 1
1328 2 74 ASN H 2 75 GLN H 2.600 . 3.400 2.236 1.801 3.399 . 0 0 "[ . 1 . 2]" 1
1329 2 75 GLN H 2 76 GLU H 3.100 . 4.300 3.733 3.170 3.989 . 0 0 "[ . 1 . 2]" 1
1330 2 72 PHE HA 2 75 GLN H 4.100 . 6.000 3.753 3.118 4.917 . 0 0 "[ . 1 . 2]" 1
1331 2 75 GLN H 2 75 GLN HA 2.900 . 4.000 2.930 2.864 2.948 . 0 0 "[ . 1 . 2]" 1
1332 2 74 ASN HA 2 75 GLN H 3.100 . 4.300 3.366 3.083 3.562 . 0 0 "[ . 1 . 2]" 1
1333 2 73 LYS HA 2 75 GLN H 3.500 . 5.100 4.160 3.210 4.872 . 0 0 "[ . 1 . 2]" 1
1334 2 74 ASN QB 2 75 GLN H 3.600 . 5.200 3.254 2.482 3.867 . 0 0 "[ . 1 . 2]" 1
1335 2 75 GLN H 2 75 GLN HG2 3.200 . 4.500 2.938 2.318 5.007 0.507 20 1 "[ . 1 . +]" 1
1336 2 75 GLN H 2 75 GLN HB3 3.100 . 4.300 3.666 2.856 3.837 . 0 0 "[ . 1 . 2]" 1
1337 2 76 GLU H 2 77 ASP H 2.900 . 3.900 2.451 2.417 2.603 . 0 0 "[ . 1 . 2]" 1
1338 2 75 GLN HA 2 76 GLU H 2.400 . 3.100 2.333 2.234 2.596 . 0 0 "[ . 1 . 2]" 1
1339 2 76 GLU H 2 76 GLU HA 2.500 . 3.300 2.865 2.815 2.876 . 0 0 "[ . 1 . 2]" 1
1340 2 76 GLU H 2 76 GLU QG 3.000 . 4.100 2.683 1.927 4.029 . 0 0 "[ . 1 . 2]" 1
1341 2 76 GLU H 2 76 GLU QB 2.300 . 3.000 2.439 2.246 2.622 . 0 0 "[ . 1 . 2]" 1
1342 2 75 GLN HB2 2 76 GLU H 3.900 . 5.800 4.483 4.387 4.596 . 0 0 "[ . 1 . 2]" 1
1343 2 77 ASP H 2 79 LEU H 4.200 . 6.000 4.290 4.118 4.501 . 0 0 "[ . 1 . 2]" 1
1344 2 77 ASP H 2 78 LEU H 2.600 . 3.400 2.810 2.681 2.996 . 0 0 "[ . 1 . 2]" 1
1345 2 75 GLN HA 2 77 ASP H 3.900 . 5.800 3.268 3.155 3.410 . 0 0 "[ . 1 . 2]" 1
1346 2 77 ASP H 2 77 ASP HA 2.700 . 3.600 2.781 2.723 2.806 . 0 0 "[ . 1 . 2]" 1
1347 2 77 ASP H 2 80 SER QB 3.600 . 5.200 4.973 4.539 5.216 0.016 12 0 "[ . 1 . 2]" 1
1348 2 76 GLU HA 2 77 ASP H 3.200 . 4.500 3.453 3.416 3.499 . 0 0 "[ . 1 . 2]" 1
1349 2 77 ASP H 2 77 ASP HB3 2.900 . 3.900 3.073 2.506 3.596 . 0 0 "[ . 1 . 2]" 1
1350 2 77 ASP H 2 77 ASP HB2 2.900 . 4.000 2.807 2.466 3.595 . 0 0 "[ . 1 . 2]" 1
1351 2 76 GLU QG 2 77 ASP H 3.600 . 5.300 3.648 2.322 4.637 . 0 0 "[ . 1 . 2]" 1
1352 2 76 GLU QB 2 77 ASP H 2.900 . 3.900 3.134 2.768 3.672 . 0 0 "[ . 1 . 2]" 1
1353 2 76 GLU H 2 78 LEU H 4.500 . 6.000 4.500 4.176 4.791 . 0 0 "[ . 1 . 2]" 1
1354 2 78 LEU H 2 79 LEU H 2.600 . 3.400 2.748 2.575 2.921 . 0 0 "[ . 1 . 2]" 1
1355 2 77 ASP HB3 2 78 LEU H 3.900 . 5.800 3.360 2.129 4.042 . 0 0 "[ . 1 . 2]" 1
1356 2 77 ASP HB2 2 78 LEU H 3.800 . 5.600 3.094 2.340 3.907 . 0 0 "[ . 1 . 2]" 1
1357 2 78 LEU H 2 78 LEU HG 2.600 . 6.000 3.776 2.127 4.152 . 0 0 "[ . 1 . 2]" 1
1358 2 78 LEU H 2 78 LEU HB2 2.900 . 4.000 2.268 2.122 2.541 . 0 0 "[ . 1 . 2]" 1
1359 2 78 LEU H 2 78 LEU QD 3.000 . 4.100 2.244 1.952 3.097 0.048 8 0 "[ . 1 . 2]" 1
1360 2 79 LEU H 2 80 SER H 2.700 . 3.600 2.696 2.534 2.877 . 0 0 "[ . 1 . 2]" 1
1361 2 76 GLU HA 2 79 LEU H 3.200 . 4.500 3.357 3.163 3.794 . 0 0 "[ . 1 . 2]" 1
1362 2 79 LEU H 2 79 LEU HB3 3.000 . 4.200 3.078 2.610 3.573 . 0 0 "[ . 1 . 2]" 1
1363 2 79 LEU H 2 79 LEU HB2 2.300 . 3.000 2.286 2.132 2.426 . 0 0 "[ . 1 . 2]" 1
1364 2 78 LEU HB2 2 79 LEU H 2.900 . 4.000 2.659 2.453 2.818 . 0 0 "[ . 1 . 2]" 1
1365 2 78 LEU QD 2 79 LEU H 4.700 . 6.000 3.854 3.728 4.143 . 0 0 "[ . 1 . 2]" 1
1366 2 80 SER H 2 81 GLU H 2.800 . 3.700 2.741 2.614 2.878 . 0 0 "[ . 1 . 2]" 1
1367 2 80 SER H 2 80 SER HA 2.700 . 3.600 2.807 2.778 2.848 . 0 0 "[ . 1 . 2]" 1
1368 2 80 SER H 2 80 SER QB 2.400 . 3.100 2.355 2.258 2.483 . 0 0 "[ . 1 . 2]" 1
1369 2 79 LEU HB3 2 80 SER H 2.700 . 3.600 2.969 2.380 3.542 . 0 0 "[ . 1 . 2]" 1
1370 2 79 LEU HG 2 80 SER H 3.800 . 5.600 4.477 3.929 5.276 . 0 0 "[ . 1 . 2]" 1
1371 2 79 LEU HB2 2 80 SER H 3.100 . 4.300 3.326 2.621 3.886 . 0 0 "[ . 1 . 2]" 1
1372 2 81 GLU H 2 81 GLU HG3 3.400 . 4.800 3.675 2.105 4.492 . 0 0 "[ . 1 . 2]" 1
1373 2 81 GLU H 2 81 GLU HB3 2.800 . 3.800 3.292 2.519 3.595 . 0 0 "[ . 1 . 2]" 1
1374 2 82 PHE H 2 82 PHE HB3 2.600 . 3.500 2.499 2.400 2.677 . 0 0 "[ . 1 . 2]" 1
1375 2 81 GLU HB2 2 82 PHE H 3.000 . 4.100 3.002 2.407 3.789 . 0 0 "[ . 1 . 2]" 1
1376 2 83 GLY H 2 84 GLN H 2.900 . 3.900 2.512 2.386 2.643 . 0 0 "[ . 1 . 2]" 1
1377 2 83 GLY H 2 83 GLY HA2 2.800 . 3.800 2.868 2.824 2.901 . 0 0 "[ . 1 . 2]" 1
1378 2 84 GLN H 2 85 PHE H 2.600 . 3.500 2.752 2.660 2.954 . 0 0 "[ . 1 . 2]" 1
1379 2 84 GLN H 2 85 PHE QD 4.600 . 6.000 4.390 3.888 5.017 . 0 0 "[ . 1 . 2]" 1
1380 2 84 GLN H 2 84 GLN HA 2.800 . 3.800 2.784 2.762 2.801 . 0 0 "[ . 1 . 2]" 1
1381 2 83 GLY HA2 2 84 GLN H 3.600 . 5.200 3.517 3.477 3.567 . 0 0 "[ . 1 . 2]" 1
1382 2 84 GLN H 2 84 GLN HG3 2.900 . 3.900 2.746 2.134 3.605 . 0 0 "[ . 1 . 2]" 1
1383 2 84 GLN H 2 84 GLN HG2 2.700 . 3.600 2.894 2.108 3.610 0.010 13 0 "[ . 1 . 2]" 1
1384 2 84 GLN H 2 84 GLN QB 2.400 . 3.100 2.445 2.319 2.516 . 0 0 "[ . 1 . 2]" 1
1385 2 85 PHE H 2 85 PHE QD 2.700 . 3.600 2.717 2.151 3.238 . 0 0 "[ . 1 . 2]" 1
1386 2 85 PHE H 2 86 LEU H 2.600 . 3.400 2.595 2.342 2.911 . 0 0 "[ . 1 . 2]" 1
1387 2 85 PHE H 2 85 PHE QE 4.100 . 6.000 4.490 4.114 4.938 . 0 0 "[ . 1 . 2]" 1
1388 2 82 PHE HA 2 85 PHE H 4.300 . 6.000 3.864 3.700 4.009 . 0 0 "[ . 1 . 2]" 1
1389 2 85 PHE H 2 85 PHE HA 2.900 . 4.000 2.838 2.792 2.893 . 0 0 "[ . 1 . 2]" 1
1390 2 84 GLN HA 2 85 PHE H 3.500 . 5.100 3.512 3.451 3.570 . 0 0 "[ . 1 . 2]" 1
1391 2 83 GLY HA2 2 85 PHE H 3.900 . 5.800 4.101 3.778 4.767 . 0 0 "[ . 1 . 2]" 1
1392 2 85 PHE H 2 85 PHE HB3 3.600 . 5.200 3.585 3.557 3.617 . 0 0 "[ . 1 . 2]" 1
1393 2 85 PHE H 2 85 PHE HB2 2.600 . 3.400 2.412 2.293 2.553 . 0 0 "[ . 1 . 2]" 1
1394 2 84 GLN HG3 2 85 PHE H 3.800 . 5.600 3.906 2.083 5.149 . 0 0 "[ . 1 . 2]" 1
1395 2 84 GLN QB 2 85 PHE H 3.100 . 4.300 2.893 2.211 3.618 . 0 0 "[ . 1 . 2]" 1
1396 2 85 PHE H 2 86 LEU HB2 3.800 . 5.600 4.782 4.459 5.054 . 0 0 "[ . 1 . 2]" 1
1397 2 84 GLN H 2 86 LEU H 3.800 . 5.600 4.250 3.934 4.752 . 0 0 "[ . 1 . 2]" 1
1398 2 85 PHE QD 2 86 LEU H 4.100 . 6.000 4.265 3.858 4.596 . 0 0 "[ . 1 . 2]" 1
1399 2 86 LEU H 2 86 LEU HA 2.800 . 3.800 2.823 2.757 2.897 . 0 0 "[ . 1 . 2]" 1
1400 2 84 GLN HA 2 86 LEU H 4.000 . 6.000 4.384 3.992 5.032 . 0 0 "[ . 1 . 2]" 1
1401 2 83 GLY HA2 2 86 LEU H 3.400 . 4.900 3.299 2.996 3.606 . 0 0 "[ . 1 . 2]" 1
1402 2 86 LEU H 2 87 PRO HD3 4.000 . 6.000 4.798 4.472 5.199 . 0 0 "[ . 1 . 2]" 1
1403 2 85 PHE HB3 2 86 LEU H 4.300 . 6.000 3.618 3.121 3.910 . 0 0 "[ . 1 . 2]" 1
1404 2 85 PHE HB2 2 86 LEU H 3.200 . 4.500 2.715 2.200 3.043 . 0 0 "[ . 1 . 2]" 1
1405 2 86 LEU H 2 86 LEU HB3 3.400 . 4.900 3.495 2.605 3.624 . 0 0 "[ . 1 . 2]" 1
1406 2 86 LEU H 2 86 LEU HB2 2.400 . 3.100 2.117 1.973 2.397 . 0 0 "[ . 1 . 2]" 1
1407 2 86 LEU H 2 86 LEU QD 3.800 . 5.600 3.114 2.860 3.657 . 0 0 "[ . 1 . 2]" 1
1408 2 88 ASP H 2 88 ASP HA 2.900 . 3.900 2.651 2.264 2.938 . 0 0 "[ . 1 . 2]" 1
1409 2 87 PRO HA 2 88 ASP H 2.400 . 3.100 2.568 2.150 3.120 0.020 14 0 "[ . 1 . 2]" 1
1410 2 87 PRO QD 2 88 ASP H 3.300 . 6.000 4.619 3.113 4.993 . 0 0 "[ . 1 . 2]" 1
1411 2 88 ASP H 2 88 ASP HB3 3.400 . 4.900 3.246 2.450 4.079 . 0 0 "[ . 1 . 2]" 1
1412 2 88 ASP H 2 88 ASP HB2 2.700 . 3.600 3.012 2.511 3.594 . 0 0 "[ . 1 . 2]" 1
1413 2 87 PRO HB3 2 88 ASP H 3.800 . 5.700 3.308 2.473 4.629 . 0 0 "[ . 1 . 2]" 1
1414 2 87 PRO QG 2 88 ASP H 3.700 . 5.400 4.100 3.571 4.835 . 0 0 "[ . 1 . 2]" 1
1415 2 87 PRO HB2 2 88 ASP H 3.200 . 4.500 2.810 1.916 4.254 . 0 0 "[ . 1 . 2]" 1
1416 2 88 ASP H 2 89 ALA H 3.000 . 4.100 3.046 2.002 4.139 0.039 15 0 "[ . 1 . 2]" 1
1417 2 88 ASP HA 2 89 ALA H 2.900 . 3.900 3.013 2.213 3.547 . 0 0 "[ . 1 . 2]" 1
1418 2 88 ASP HB3 2 89 ALA H 3.800 . 5.600 3.904 2.729 4.485 . 0 0 "[ . 1 . 2]" 1
1419 2 88 ASP HB2 2 89 ALA H 4.100 . 6.000 3.974 1.972 4.542 0.028 18 0 "[ . 1 . 2]" 1
1420 2 87 PRO HB2 2 89 ALA H 3.700 . 5.500 3.863 2.085 5.508 0.008 2 0 "[ . 1 . 2]" 1
1421 2 89 ALA H 2 89 ALA MB 2.800 . 3.800 2.557 2.237 2.881 . 0 0 "[ . 1 . 2]" 1
1422 1 14 LEU QD 2 18 ASN H 3.200 . 4.500 3.538 2.996 3.945 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 609
_Distance_constraint_stats_list.Viol_count 304
_Distance_constraint_stats_list.Viol_total 355.951
_Distance_constraint_stats_list.Viol_max 0.919
_Distance_constraint_stats_list.Viol_rms 0.0200
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0585
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 3.159 0.919 4 4 "[-**+. 1 . 2]"
1 2 MET 3.815 0.919 4 4 "[-**+. 1 . 2]"
1 3 ASN 0.572 0.067 19 0 "[ . 1 . 2]"
1 4 ILE 0.656 0.114 14 0 "[ . 1 . 2]"
1 5 GLN 0.323 0.132 1 0 "[ . 1 . 2]"
1 6 MET 3.690 0.919 4 4 "[-**+. 1 . 2]"
1 7 LEU 0.891 0.080 5 0 "[ . 1 . 2]"
1 8 LEU 2.093 0.204 4 0 "[ . 1 . 2]"
1 9 GLU 3.414 0.919 4 4 "[-**+. 1 . 2]"
1 10 ALA 0.115 0.039 20 0 "[ . 1 . 2]"
1 11 ALA 0.288 0.038 14 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 1.733 0.237 16 0 "[ . 1 . 2]"
1 15 GLU 0.393 0.053 1 0 "[ . 1 . 2]"
1 16 ARG 0.147 0.131 11 0 "[ . 1 . 2]"
2 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 LEU 0.012 0.011 11 0 "[ . 1 . 2]"
2 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 GLN 1.325 0.823 14 1 "[ . 1 +. 2]"
2 7 PRO 1.325 0.823 14 1 "[ . 1 +. 2]"
2 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.468 0.067 12 0 "[ . 1 . 2]"
2 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 ASN 0.948 0.151 15 0 "[ . 1 . 2]"
2 16 TYR 0.588 0.119 6 0 "[ . 1 . 2]"
2 17 VAL 0.775 0.068 5 0 "[ . 1 . 2]"
2 18 ASN 0.971 0.151 15 0 "[ . 1 . 2]"
2 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 ILE 0.469 0.100 16 0 "[ . 1 . 2]"
2 21 LYS 0.212 0.032 10 0 "[ . 1 . 2]"
2 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 TYR 0.336 0.058 16 0 "[ . 1 . 2]"
2 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 ALA 0.049 0.018 19 0 "[ . 1 . 2]"
2 34 PHE 0.208 0.069 12 0 "[ . 1 . 2]"
2 35 LEU 1.099 0.204 4 0 "[ . 1 . 2]"
2 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ILE 0.134 0.043 12 0 "[ . 1 . 2]"
2 38 LEU 1.790 0.204 4 0 "[ . 1 . 2]"
2 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 THR 0.474 0.168 11 0 "[ . 1 . 2]"
2 41 TYR 0.670 0.270 20 0 "[ . 1 . 2]"
2 42 GLN 0.005 0.005 17 0 "[ . 1 . 2]"
2 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 GLU 2.648 0.407 11 0 "[ . 1 . 2]"
2 45 GLN 0.016 0.008 10 0 "[ . 1 . 2]"
2 46 ARG 0.012 0.012 14 0 "[ . 1 . 2]"
2 47 ASN 1.129 0.361 17 0 "[ . 1 . 2]"
2 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLY 0.008 0.008 10 0 "[ . 1 . 2]"
2 54 ASN 0.008 0.008 10 0 "[ . 1 . 2]"
2 55 TYR 1.129 0.361 17 0 "[ . 1 . 2]"
2 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 PRO 0.008 0.008 3 0 "[ . 1 . 2]"
2 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LEU 1.762 0.407 11 0 "[ . 1 . 2]"
2 60 THR 1.037 0.407 11 0 "[ . 1 . 2]"
2 61 GLU 2.771 0.823 14 1 "[ . 1 +. 2]"
2 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 GLU 0.230 0.119 6 0 "[ . 1 . 2]"
2 64 VAL 0.153 0.043 12 0 "[ . 1 . 2]"
2 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 ALA 0.070 0.031 18 0 "[ . 1 . 2]"
2 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 VAL 0.314 0.069 12 0 "[ . 1 . 2]"
2 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 ARG 0.012 0.012 14 0 "[ . 1 . 2]"
2 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 PHE 0.134 0.081 2 0 "[ . 1 . 2]"
2 73 LYS 0.049 0.018 19 0 "[ . 1 . 2]"
2 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 GLN 0.100 0.100 16 0 "[ . 1 . 2]"
2 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 ASP 0.948 0.151 15 0 "[ . 1 . 2]"
2 78 LEU 0.387 0.114 14 0 "[ . 1 . 2]"
2 79 LEU 0.602 0.168 11 0 "[ . 1 . 2]"
2 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 GLU 0.816 0.177 15 0 "[ . 1 . 2]"
2 82 PHE 0.092 0.081 2 0 "[ . 1 . 2]"
2 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 GLN 0.656 0.177 15 0 "[ . 1 . 2]"
2 85 PHE 0.586 0.081 2 0 "[ . 1 . 2]"
2 86 LEU 0.035 0.034 14 0 "[ . 1 . 2]"
2 87 PRO 1.325 0.823 14 1 "[ . 1 +. 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 TYR QB 2 10 PHE HZ 3.000 . 6.000 3.239 2.591 3.618 . 0 0 "[ . 1 . 2]" 2
2 1 14 LEU QD 2 18 ASN HA 2.000 . 4.000 3.349 2.411 3.748 . 0 0 "[ . 1 . 2]" 2
3 1 7 LEU QB 2 13 ALA HA 2.500 . 5.000 5.000 4.618 5.067 0.067 12 0 "[ . 1 . 2]" 2
4 1 7 LEU QD 2 17 VAL HB 2.500 . 5.000 4.755 4.238 5.021 0.021 11 0 "[ . 1 . 2]" 2
5 1 14 LEU QD 2 17 VAL HB 2.000 . 4.000 2.965 2.600 3.217 . 0 0 "[ . 1 . 2]" 2
6 1 11 ALA HA 2 17 VAL HB 2.500 . 5.000 4.002 3.606 4.453 . 0 0 "[ . 1 . 2]" 2
7 1 4 ILE MD 2 42 GLN QB 2.000 . 4.000 2.643 2.079 3.547 . 0 0 "[ . 1 . 2]" 2
8 1 4 ILE MG 2 42 GLN QB 2.500 . 5.000 3.281 2.575 4.024 . 0 0 "[ . 1 . 2]" 2
9 1 11 ALA MB 2 21 LYS QD 2.500 . 5.000 4.805 3.758 5.032 0.032 10 0 "[ . 1 . 2]" 2
10 1 14 LEU QB 2 21 LYS QD 3.000 . 6.000 4.454 3.757 5.575 . 0 0 "[ . 1 . 2]" 2
11 1 10 ALA MB 2 14 ILE QG 2.500 . 4.000 2.129 1.940 2.685 . 0 0 "[ . 1 . 2]" 2
12 1 10 ALA HA 2 14 ILE QG 2.500 . 5.000 3.041 2.515 4.140 . 0 0 "[ . 1 . 2]" 2
13 1 14 LEU QD 2 14 ILE QG 2.500 . 5.000 3.021 2.435 4.083 . 0 0 "[ . 1 . 2]" 2
14 1 8 LEU QD 2 38 LEU QD 2.000 . 4.000 2.526 1.852 3.445 . 0 0 "[ . 1 . 2]" 2
15 1 4 ILE MD 2 38 LEU QD 2.000 . 3.300 2.184 1.846 2.574 . 0 0 "[ . 1 . 2]" 2
16 1 7 LEU QD 2 38 LEU QD 2.000 . 4.000 2.482 2.166 2.696 . 0 0 "[ . 1 . 2]" 2
17 1 4 ILE QG 2 38 LEU QD 2.000 . 4.000 2.435 2.152 3.332 . 0 0 "[ . 1 . 2]" 2
18 1 4 ILE QG 2 38 LEU QD 2.000 . 4.000 2.816 2.121 3.962 . 0 0 "[ . 1 . 2]" 2
19 1 4 ILE HB 2 38 LEU QD 2.500 . 5.000 2.575 2.289 3.489 . 0 0 "[ . 1 . 2]" 2
20 1 8 LEU HA 2 38 LEU QD 2.500 . 5.000 3.829 3.017 4.738 . 0 0 "[ . 1 . 2]" 2
21 1 4 ILE HA 2 38 LEU QD 3.000 . 5.000 3.185 2.490 3.874 . 0 0 "[ . 1 . 2]" 2
22 1 4 ILE QG 2 86 LEU QD 3.000 . 5.000 3.053 2.363 3.701 . 0 0 "[ . 1 . 2]" 2
23 1 11 ALA MB 2 35 LEU QD 2.000 . 4.000 2.208 1.959 2.374 . 0 0 "[ . 1 . 2]" 2
24 1 8 LEU QD 2 35 LEU HG 2.500 . 5.000 3.782 3.350 4.489 . 0 0 "[ . 1 . 2]" 2
25 1 7 LEU QD 2 38 LEU HG 2.500 . 5.000 4.769 4.314 5.024 0.024 9 0 "[ . 1 . 2]" 2
26 1 4 ILE MD 2 35 LEU HG 2.500 . 5.000 3.581 2.850 4.092 . 0 0 "[ . 1 . 2]" 2
27 1 15 GLU QG 2 35 LEU QD 2.500 . 5.000 4.518 3.288 5.025 0.025 12 0 "[ . 1 . 2]" 2
28 1 6 MET HA 2 2 LEU QD 2.500 . 5.000 4.494 2.805 4.981 . 0 0 "[ . 1 . 2]" 2
29 1 6 MET QB 2 2 LEU QD 2.500 . 5.000 3.087 1.768 4.458 . 0 0 "[ . 1 . 2]" 2
30 1 5 GLN QG 2 2 LEU QD 2.500 . 5.000 3.975 2.764 4.967 . 0 0 "[ . 1 . 2]" 2
31 1 6 MET QB 2 2 LEU QD 2.500 . 5.000 4.533 3.563 5.001 0.001 17 0 "[ . 1 . 2]" 2
32 1 14 LEU QD 2 17 VAL MG2 2.000 . 4.000 3.888 3.618 4.026 0.026 16 0 "[ . 1 . 2]" 2
33 1 7 LEU QB 2 17 VAL MG2 2.000 . 4.000 2.266 2.013 2.497 . 0 0 "[ . 1 . 2]" 2
34 1 11 ALA HA 2 17 VAL MG2 2.000 . 4.000 3.441 2.934 3.871 . 0 0 "[ . 1 . 2]" 2
35 1 7 LEU QB 2 17 VAL MG2 2.000 . 4.000 2.843 2.333 4.068 0.068 5 0 "[ . 1 . 2]" 2
36 1 4 ILE QG 2 86 LEU QD 2.500 . 5.000 3.046 2.362 3.669 . 0 0 "[ . 1 . 2]" 2
37 1 4 ILE HB 2 86 LEU QD 2.500 . 5.000 4.791 4.273 5.034 0.034 14 0 "[ . 1 . 2]" 2
38 1 4 ILE MD 2 64 VAL MG1 2.500 . 5.000 3.281 2.354 4.503 . 0 0 "[ . 1 . 2]" 2
39 1 14 LEU QB 2 17 VAL MG1 2.500 . 5.000 4.014 3.464 4.440 . 0 0 "[ . 1 . 2]" 2
40 1 10 ALA MB 2 17 VAL MG1 2.000 . 4.000 3.806 3.480 4.039 0.039 20 0 "[ . 1 . 2]" 2
41 1 14 LEU QD 2 17 VAL MG1 1.500 . 3.000 2.782 2.440 2.947 . 0 0 "[ . 1 . 2]" 2
42 1 8 LEU HA 2 35 LEU QD 2.500 . 5.000 3.766 3.013 4.226 . 0 0 "[ . 1 . 2]" 2
43 1 11 ALA HA 2 35 LEU QD 2.500 . 5.000 4.090 3.834 4.341 . 0 0 "[ . 1 . 2]" 2
44 1 4 ILE MG 2 64 VAL MG2 2.500 . 5.000 4.616 4.103 5.005 0.005 17 0 "[ . 1 . 2]" 2
45 1 7 LEU QB 2 13 ALA MB 2.000 . 4.000 2.150 1.914 2.377 . 0 0 "[ . 1 . 2]" 2
46 1 6 MET ME 2 13 ALA MB 2.500 . 5.000 3.690 1.937 4.783 . 0 0 "[ . 1 . 2]" 2
47 1 6 MET QB 2 13 ALA MB 2.500 . 5.000 3.357 1.963 4.184 . 0 0 "[ . 1 . 2]" 2
48 1 6 MET QG 2 13 ALA MB 2.000 . 4.000 2.473 1.871 4.014 0.014 2 0 "[ . 1 . 2]" 2
49 1 7 LEU HA 2 13 ALA MB 2.000 . 4.000 2.485 1.959 2.756 . 0 0 "[ . 1 . 2]" 2
50 1 14 LEU QB 2 14 ILE MG 2.500 . 5.000 3.701 2.064 4.455 . 0 0 "[ . 1 . 2]" 2
51 1 13 TYR QD 2 14 ILE MG 2.500 . 5.000 3.935 3.411 4.243 . 0 0 "[ . 1 . 2]" 2
52 1 14 LEU QD 2 14 ILE MG 2.000 . 4.000 1.760 1.550 2.469 . 0 0 "[ . 1 . 2]" 2
53 1 14 LEU QD 2 21 LYS QE 2.500 . 5.000 4.567 2.991 5.000 0.000 15 0 "[ . 1 . 2]" 2
54 1 14 LEU QD 2 14 ILE HA 2.000 . 4.000 2.942 2.524 3.895 . 0 0 "[ . 1 . 2]" 2
55 1 10 ALA HA 2 14 ILE HA 2.500 . 5.000 4.543 4.189 4.861 . 0 0 "[ . 1 . 2]" 2
56 1 8 LEU QD 2 38 LEU QB 2.000 . 4.000 1.905 1.701 2.743 . 0 0 "[ . 1 . 2]" 2
57 1 4 ILE MD 2 38 LEU QB 2.500 . 5.000 1.895 1.700 2.674 . 0 0 "[ . 1 . 2]" 2
58 1 4 ILE MG 2 38 LEU QB 2.500 . 5.000 2.169 1.907 2.718 . 0 0 "[ . 1 . 2]" 2
59 1 4 ILE QG 2 38 LEU QB 2.500 . 5.000 3.120 2.189 4.420 . 0 0 "[ . 1 . 2]" 2
60 1 7 LEU QD 2 85 PHE QB 2.500 . 4.000 3.681 3.247 4.008 0.008 19 0 "[ . 1 . 2]" 2
61 1 14 LEU QD 2 18 ASN QB 2.000 . 4.000 2.675 2.051 3.807 . 0 0 "[ . 1 . 2]" 2
62 1 7 LEU HG 2 18 ASN QB 2.500 . 5.000 4.414 3.958 5.011 0.011 5 0 "[ . 1 . 2]" 2
63 1 4 ILE MG 2 41 TYR QB 3.000 . 5.000 2.970 2.514 3.822 . 0 0 "[ . 1 . 2]" 2
64 1 4 ILE MD 2 41 TYR QB 3.000 . 6.000 3.831 2.810 4.797 . 0 0 "[ . 1 . 2]" 2
65 1 13 TYR QB 2 14 ILE MD 3.000 . 6.000 3.646 3.035 4.139 . 0 0 "[ . 1 . 2]" 2
66 1 13 TYR QD 2 14 ILE MD 2.000 . 4.000 2.952 2.685 3.198 . 0 0 "[ . 1 . 2]" 2
67 1 10 ALA MB 2 14 ILE HB 2.500 . 5.000 4.137 3.871 4.376 . 0 0 "[ . 1 . 2]" 2
68 1 4 ILE MD 2 61 GLU HA 2.500 . 5.000 4.783 4.151 5.022 0.022 18 0 "[ . 1 . 2]" 2
69 1 7 LEU QD 2 82 PHE HA 2.500 . 5.000 3.364 2.813 3.857 . 0 0 "[ . 1 . 2]" 2
70 1 6 MET QB 2 10 PHE HA 2.500 . 5.000 3.277 1.954 4.470 . 0 0 "[ . 1 . 2]" 2
71 1 6 MET QG 2 10 PHE HA 2.500 . 5.000 3.729 2.638 4.918 . 0 0 "[ . 1 . 2]" 2
72 1 4 ILE MD 2 39 HIS HA 2.000 . 4.000 2.825 2.333 3.247 . 0 0 "[ . 1 . 2]" 2
73 1 4 ILE MD 2 42 GLN QG 2.000 . 4.000 3.314 2.127 3.956 . 0 0 "[ . 1 . 2]" 2
74 1 4 ILE MG 2 42 GLN QG 2.500 . 5.000 4.284 2.326 5.005 0.005 17 0 "[ . 1 . 2]" 2
75 1 3 ASN HA 2 85 PHE HA 2.000 . 4.000 3.952 3.586 4.057 0.057 2 0 "[ . 1 . 2]" 2
76 1 2 MET ME 2 85 PHE HA 2.000 . 4.000 3.883 3.095 4.021 0.021 11 0 "[ . 1 . 2]" 2
77 1 8 LEU QD 2 38 LEU HA 2.500 . 5.000 3.747 3.373 4.520 . 0 0 "[ . 1 . 2]" 2
78 1 4 ILE MD 2 38 LEU HA 2.500 . 5.000 3.290 2.684 3.774 . 0 0 "[ . 1 . 2]" 2
79 1 4 ILE MG 2 38 LEU HA 2.000 . 4.000 2.941 2.480 3.464 . 0 0 "[ . 1 . 2]" 2
80 1 8 LEU QD 2 35 LEU HA 2.000 . 4.000 3.635 2.806 4.035 0.035 20 0 "[ . 1 . 2]" 2
81 1 11 ALA MB 2 35 LEU HA 2.500 . 5.000 4.890 4.502 5.038 0.038 14 0 "[ . 1 . 2]" 2
82 1 7 LEU QD 2 82 PHE QE 2.500 . 5.000 2.337 1.969 2.871 . 0 0 "[ . 1 . 2]" 2
83 1 4 ILE MD 2 41 TYR QD 2.000 . 4.000 3.401 2.223 4.027 0.027 16 0 "[ . 1 . 2]" 2
84 1 4 ILE QG 2 41 TYR QD 3.000 . 6.000 3.362 2.516 4.589 . 0 0 "[ . 1 . 2]" 2
85 1 4 ILE MD 2 41 TYR QE 2.500 . 5.000 3.176 2.071 4.168 . 0 0 "[ . 1 . 2]" 2
86 1 4 ILE MG 2 41 TYR QE 2.000 . 4.000 3.837 3.352 4.032 0.032 2 0 "[ . 1 . 2]" 2
87 1 4 ILE QG 2 41 TYR QE 2.000 . 4.000 3.269 2.494 4.056 0.056 14 0 "[ . 1 . 2]" 2
88 1 4 ILE HB 2 41 TYR QE 2.000 . 4.000 3.468 2.934 4.017 0.017 17 0 "[ . 1 . 2]" 2
89 1 4 ILE MG 2 86 LEU QD 3.000 . 6.000 4.769 4.289 5.345 . 0 0 "[ . 1 . 2]" 2
90 1 6 MET ME 2 9 GLU QB 2.000 . 4.000 2.487 1.817 3.950 . 0 0 "[ . 1 . 2]" 2
91 1 10 ALA H 1 11 ALA H 2.000 . 4.000 2.677 2.447 2.877 . 0 0 "[ . 1 . 2]" 2
92 1 9 GLU H 1 10 ALA H 2.000 . 4.000 2.684 2.566 2.780 . 0 0 "[ . 1 . 2]" 2
93 1 11 ALA H 1 12 ASP H 2.000 . 4.000 2.701 2.518 2.835 . 0 0 "[ . 1 . 2]" 2
94 1 8 LEU H 1 9 GLU H 2.000 . 4.000 2.702 2.517 2.827 . 0 0 "[ . 1 . 2]" 2
95 1 14 LEU H 1 15 GLU H 2.000 . 4.000 2.664 2.303 2.837 . 0 0 "[ . 1 . 2]" 2
96 1 2 MET H 1 3 ASN H 2.000 . 4.000 2.524 1.608 3.705 . 0 0 "[ . 1 . 2]" 2
97 1 6 MET H 1 7 LEU H 2.000 . 4.000 2.758 2.582 2.887 . 0 0 "[ . 1 . 2]" 2
98 1 7 LEU H 1 8 LEU H 2.000 . 4.000 2.689 2.575 2.892 . 0 0 "[ . 1 . 2]" 2
99 1 15 GLU H 1 16 ARG H 2.000 . 4.000 2.771 2.468 3.014 . 0 0 "[ . 1 . 2]" 2
100 1 3 ASN HA 1 4 ILE H 2.000 . 4.000 3.481 2.274 3.575 . 0 0 "[ . 1 . 2]" 2
101 1 2 MET HA 1 3 ASN H 2.000 . 4.000 2.771 2.157 3.458 . 0 0 "[ . 1 . 2]" 2
102 1 12 ASP HA 1 15 GLU H 2.500 . 5.000 3.690 3.196 3.939 . 0 0 "[ . 1 . 2]" 2
103 1 12 ASP HA 1 13 TYR H 2.500 . 5.000 3.474 3.432 3.508 . 0 0 "[ . 1 . 2]" 2
104 1 2 MET H 1 2 MET HA 2.500 . 5.000 2.853 2.268 2.947 . 0 0 "[ . 1 . 2]" 2
105 1 7 LEU HA 1 10 ALA H 2.000 . 4.000 3.518 3.303 3.693 . 0 0 "[ . 1 . 2]" 2
106 1 9 GLU HA 1 10 ALA H 2.500 . 5.000 3.533 3.499 3.551 . 0 0 "[ . 1 . 2]" 2
107 1 6 MET HA 1 9 GLU H 2.500 . 5.000 3.645 3.469 3.924 . 0 0 "[ . 1 . 2]" 2
108 1 8 LEU HA 1 9 GLU H 2.000 . 4.000 3.546 3.491 3.572 . 0 0 "[ . 1 . 2]" 2
109 1 8 LEU HA 1 11 ALA H 2.000 . 4.000 3.494 3.125 3.763 . 0 0 "[ . 1 . 2]" 2
110 1 1 ARG HA 1 2 MET H 2.000 . 4.000 2.398 2.134 3.257 . 0 0 "[ . 1 . 2]" 2
111 1 4 ILE HA 1 5 GLN H 2.000 . 4.000 3.538 3.475 3.575 . 0 0 "[ . 1 . 2]" 2
112 1 10 ALA HA 1 14 LEU H 2.000 . 4.000 2.769 2.740 2.812 . 0 0 "[ . 1 . 2]" 2
113 1 11 ALA HA 1 13 TYR H 1.500 . 3.000 2.634 2.623 2.643 . 0 0 "[ . 1 . 2]" 2
114 1 9 GLU HA 1 12 ASP H 2.000 . 4.000 3.606 3.405 3.803 . 0 0 "[ . 1 . 2]" 2
115 1 11 ALA HA 1 12 ASP H 2.000 . 4.000 3.549 3.514 3.570 . 0 0 "[ . 1 . 2]" 2
116 1 5 GLN HA 1 6 MET H 2.000 . 4.000 3.500 3.430 3.571 . 0 0 "[ . 1 . 2]" 2
117 1 7 LEU HA 1 8 LEU H 2.000 . 4.000 2.708 2.685 2.732 . 0 0 "[ . 1 . 2]" 2
118 1 4 ILE HA 1 6 MET H 3.000 . 6.000 4.145 3.822 5.021 . 0 0 "[ . 1 . 2]" 2
119 1 4 ILE HA 1 8 LEU H 2.500 . 5.000 4.221 3.817 4.483 . 0 0 "[ . 1 . 2]" 2
120 1 14 LEU HA 1 15 GLU H 2.500 . 5.000 3.532 3.449 3.568 . 0 0 "[ . 1 . 2]" 2
121 1 11 ALA HA 1 15 GLU H 2.500 . 5.000 3.973 3.778 4.182 . 0 0 "[ . 1 . 2]" 2
122 1 15 GLU HA 1 16 ARG H 2.000 . 4.000 3.535 3.453 3.573 . 0 0 "[ . 1 . 2]" 2
123 1 13 TYR HA 1 16 ARG H 2.000 . 4.000 2.614 2.250 2.890 . 0 0 "[ . 1 . 2]" 2
124 1 14 LEU HA 1 16 ARG H 2.500 . 5.000 4.501 3.935 5.013 0.013 5 0 "[ . 1 . 2]" 2
125 1 6 MET HA 1 7 LEU H 2.500 . 5.000 3.558 3.506 3.574 . 0 0 "[ . 1 . 2]" 2
126 1 4 ILE HA 1 7 LEU H 2.000 . 4.000 3.579 3.238 3.906 . 0 0 "[ . 1 . 2]" 2
127 1 3 ASN QB 1 4 ILE H 2.000 . 4.000 2.304 1.700 3.493 . 0 0 "[ . 1 . 2]" 2
128 1 13 TYR H 1 13 TYR QB 1.500 . 3.000 2.238 2.227 2.256 . 0 0 "[ . 1 . 2]" 2
129 1 3 ASN QB 1 3 ASN QD 2.000 . 4.000 2.615 2.249 2.725 . 0 0 "[ . 1 . 2]" 2
130 1 12 ASP QB 1 13 TYR H 2.000 . 4.000 2.839 2.676 2.984 . 0 0 "[ . 1 . 2]" 2
131 1 12 ASP H 1 12 ASP QB 2.000 . 4.000 2.293 2.250 2.409 . 0 0 "[ . 1 . 2]" 2
132 1 6 MET H 1 6 MET QG 1.500 . 3.000 2.227 1.925 2.391 . 0 0 "[ . 1 . 2]" 2
133 1 9 GLU H 1 9 GLU QG 2.000 . 4.000 3.556 2.142 4.039 0.039 7 0 "[ . 1 . 2]" 2
134 1 6 MET H 1 6 MET QG 2.000 . 4.000 3.669 2.085 4.047 0.047 10 0 "[ . 1 . 2]" 2
135 1 6 MET H 1 6 MET QB 2.000 . 4.000 2.265 2.189 2.492 . 0 0 "[ . 1 . 2]" 2
136 1 5 GLN QE 1 5 GLN QG 2.000 . 4.000 2.220 1.943 2.637 . 0 0 "[ . 1 . 2]" 2
137 1 6 MET QB 1 7 LEU H 2.500 . 4.000 2.326 2.072 2.665 . 0 0 "[ . 1 . 2]" 2
138 1 5 GLN H 1 5 GLN QG 2.000 . 4.000 3.684 2.055 4.041 0.041 6 0 "[ . 1 . 2]" 2
139 1 2 MET H 1 2 MET QG 2.000 . 4.000 3.104 1.862 4.118 0.118 4 0 "[ . 1 . 2]" 2
140 1 5 GLN QB 1 6 MET H 2.000 . 4.000 2.152 1.890 2.352 . 0 0 "[ . 1 . 2]" 2
141 1 2 MET QB 1 3 ASN H 2.000 . 4.000 3.420 1.626 4.015 0.015 11 0 "[ . 1 . 2]" 2
142 1 15 GLU QB 1 16 ARG H 2.000 . 4.000 2.481 2.102 2.913 . 0 0 "[ . 1 . 2]" 2
143 1 15 GLU H 1 15 GLU QB 2.000 . 4.000 2.283 2.218 2.460 . 0 0 "[ . 1 . 2]" 2
144 1 5 GLN QB 1 6 MET H 2.000 . 4.000 2.755 2.066 3.657 . 0 0 "[ . 1 . 2]" 2
145 1 5 GLN H 1 5 GLN QB 2.000 . 3.000 2.278 2.230 2.513 . 0 0 "[ . 1 . 2]" 2
146 1 9 GLU H 1 9 GLU QB 2.000 . 4.000 2.295 2.238 2.474 . 0 0 "[ . 1 . 2]" 2
147 1 9 GLU QB 1 10 ALA H 2.000 . 4.000 2.553 2.408 2.740 . 0 0 "[ . 1 . 2]" 2
148 1 4 ILE HB 1 5 GLN H 2.000 . 4.000 2.573 1.878 2.978 . 0 0 "[ . 1 . 2]" 2
149 1 4 ILE H 1 4 ILE HB 2.000 . 4.000 2.602 2.345 3.646 . 0 0 "[ . 1 . 2]" 2
150 1 7 LEU H 1 7 LEU QB 2.000 . 4.000 2.490 2.011 2.613 . 0 0 "[ . 1 . 2]" 2
151 1 7 LEU QB 1 8 LEU H 2.000 . 4.000 2.630 2.290 2.827 . 0 0 "[ . 1 . 2]" 2
152 1 8 LEU H 1 8 LEU QB 2.000 . 4.000 2.249 2.073 2.385 . 0 0 "[ . 1 . 2]" 2
153 1 14 LEU QB 1 15 GLU H 2.000 . 4.000 2.506 2.102 3.009 . 0 0 "[ . 1 . 2]" 2
154 1 8 LEU QB 1 9 GLU H 2.000 . 4.000 2.542 2.248 2.879 . 0 0 "[ . 1 . 2]" 2
155 1 16 ARG H 1 16 ARG QB 1.500 . 3.000 2.688 2.258 3.131 0.131 11 0 "[ . 1 . 2]" 2
156 1 4 ILE H 1 4 ILE QG 2.000 . 4.000 2.673 1.919 3.643 . 0 0 "[ . 1 . 2]" 2
157 1 11 ALA H 1 11 ALA MB 1.500 . 3.000 2.237 2.218 2.250 . 0 0 "[ . 1 . 2]" 2
158 1 11 ALA MB 1 12 ASP H 2.000 . 4.000 2.458 2.296 2.650 . 0 0 "[ . 1 . 2]" 2
159 1 10 ALA H 1 10 ALA MB 1.500 . 3.000 2.237 2.226 2.251 . 0 0 "[ . 1 . 2]" 2
160 1 10 ALA MB 1 11 ALA H 2.000 . 4.000 2.529 2.202 2.926 . 0 0 "[ . 1 . 2]" 2
161 1 7 LEU H 1 7 LEU HG 2.000 . 4.000 2.257 1.927 4.080 0.080 5 0 "[ . 1 . 2]" 2
162 1 8 LEU H 1 8 LEU HG 2.000 . 4.000 3.149 2.398 4.169 0.169 5 0 "[ . 1 . 2]" 2
163 1 14 LEU HG 1 15 GLU H 2.000 . 4.000 3.938 3.358 4.053 0.053 1 0 "[ . 1 . 2]" 2
164 1 14 LEU H 1 14 LEU QB 1.500 . 3.000 2.482 2.137 2.626 . 0 0 "[ . 1 . 2]" 2
165 1 14 LEU H 1 14 LEU HG 2.000 . 4.000 2.509 1.858 4.237 0.237 16 0 "[ . 1 . 2]" 2
166 1 8 LEU QD 1 9 GLU H 2.500 . 5.000 3.973 3.713 4.151 . 0 0 "[ . 1 . 2]" 2
167 1 4 ILE H 1 4 ILE MG 2.000 . 4.000 3.799 3.714 4.019 0.019 15 0 "[ . 1 . 2]" 2
168 1 5 GLN H 1 8 LEU QD 2.500 . 5.000 4.126 3.411 4.996 . 0 0 "[ . 1 . 2]" 2
169 1 4 ILE H 1 4 ILE MD 2.500 . 5.000 3.165 1.500 4.332 . 0 0 "[ . 1 . 2]" 2
170 1 14 LEU H 1 14 LEU QD 2.000 . 4.000 3.092 2.837 3.759 . 0 0 "[ . 1 . 2]" 2
171 1 8 LEU H 1 8 LEU QD 2.500 . 5.000 2.995 2.086 3.735 . 0 0 "[ . 1 . 2]" 2
172 1 14 LEU QD 1 15 GLU H 2.500 . 5.000 3.902 3.716 4.043 . 0 0 "[ . 1 . 2]" 2
173 1 7 LEU H 1 7 LEU QD 2.500 . 5.000 3.002 2.843 3.710 . 0 0 "[ . 1 . 2]" 2
174 1 3 ASN QD 1 6 MET QB 2.500 . 5.000 4.772 3.878 5.067 0.067 19 0 "[ . 1 . 2]" 2
175 1 13 TYR H 1 13 TYR QD 2.000 . 4.000 2.798 2.629 3.233 . 0 0 "[ . 1 . 2]" 2
176 1 8 LEU H 1 10 ALA H 2.500 . 5.000 4.107 3.879 4.376 . 0 0 "[ . 1 . 2]" 2
177 1 14 LEU H 1 16 ARG H 2.500 . 5.000 4.270 3.773 4.693 . 0 0 "[ . 1 . 2]" 2
178 1 4 ILE HB 2 41 TYR QD 2.900 . 4.000 2.840 2.632 3.083 . 0 0 "[ . 1 . 2]" 2
179 2 16 TYR QD 2 19 LYS QD 2.700 . 3.600 2.741 2.057 3.595 . 0 0 "[ . 1 . 2]" 2
180 1 7 LEU QD 2 16 TYR QD 2.400 . 3.100 1.892 1.720 2.087 . 0 0 "[ . 1 . 2]" 2
181 1 4 ILE HG13 2 41 TYR QD 3.400 . 4.800 3.291 2.106 4.236 . 0 0 "[ . 1 . 2]" 2
182 2 16 TYR QD 2 19 LYS HB3 2.700 . 3.600 2.904 2.302 3.373 . 0 0 "[ . 1 . 2]" 2
183 2 48 ALA MB 2 55 TYR QD 2.500 . 3.300 2.392 2.056 2.829 . 0 0 "[ . 1 . 2]" 2
184 2 41 TYR HB2 2 41 TYR QD 2.100 . 2.700 2.121 2.077 2.191 . 0 0 "[ . 1 . 2]" 2
185 1 8 LEU QD 2 41 TYR QD 3.600 . 5.200 3.497 2.933 3.965 . 0 0 "[ . 1 . 2]" 2
186 1 4 ILE MD 2 41 TYR QD 3.800 . 5.600 3.250 2.219 3.831 . 0 0 "[ . 1 . 2]" 2
187 2 41 TYR QD 2 42 GLN QB 3.300 . 4.700 3.529 3.163 3.966 . 0 0 "[ . 1 . 2]" 2
188 2 16 TYR QD 2 81 GLU HG3 3.400 . 4.800 3.544 2.330 4.559 . 0 0 "[ . 1 . 2]" 2
189 2 16 TYR QD 2 81 GLU HG3 3.400 . 4.900 3.733 2.870 4.741 . 0 0 "[ . 1 . 2]" 2
190 2 65 TYR QD 2 79 LEU QD 2.500 . 3.300 2.740 2.379 3.166 . 0 0 "[ . 1 . 2]" 2
191 2 65 TYR QD 2 66 ALA HA 3.000 . 4.100 3.375 3.153 3.753 . 0 0 "[ . 1 . 2]" 2
192 2 21 LYS QD 2 31 TYR QD 3.300 . 4.700 3.830 3.157 4.689 . 0 0 "[ . 1 . 2]" 2
193 2 17 VAL MG2 2 31 TYR QD 3.800 . 5.600 5.224 4.954 5.583 . 0 0 "[ . 1 . 2]" 2
194 2 23 ARG HB2 2 24 PHE QD 3.700 . 5.400 3.068 2.394 3.721 . 0 0 "[ . 1 . 2]" 2
195 2 13 ALA MB 2 85 PHE QE 3.600 . 5.200 3.892 3.045 4.200 . 0 0 "[ . 1 . 2]" 2
196 2 34 PHE QD 2 38 LEU QD 3.100 . 4.300 2.341 1.904 2.503 . 0 0 "[ . 1 . 2]" 2
197 1 7 LEU QD 2 85 PHE QE 3.000 . 4.100 2.639 2.305 3.124 . 0 0 "[ . 1 . 2]" 2
198 1 7 LEU QD 2 82 PHE QD 3.000 . 4.100 2.190 1.990 2.509 . 0 0 "[ . 1 . 2]" 2
199 1 6 MET HG3 2 10 PHE QD 3.800 . 5.600 4.259 3.416 5.135 . 0 0 "[ . 1 . 2]" 2
200 1 6 MET ME 2 10 PHE QD 3.500 . 5.000 3.501 2.277 4.940 . 0 0 "[ . 1 . 2]" 2
201 1 6 MET ME 2 10 PHE QE 3.800 . 5.600 4.198 3.073 5.177 . 0 0 "[ . 1 . 2]" 2
202 1 7 LEU QD 2 34 PHE QE 2.900 . 3.900 2.567 2.177 2.977 . 0 0 "[ . 1 . 2]" 2
203 2 17 VAL MG1 2 34 PHE QE 4.100 . 6.000 3.575 3.144 3.933 . 0 0 "[ . 1 . 2]" 2
204 2 34 PHE QE 2 38 LEU QD 3.300 . 4.700 2.027 1.831 2.167 0.069 12 0 "[ . 1 . 2]" 2
205 1 7 LEU QD 2 82 PHE QE 2.600 . 3.400 2.125 1.819 2.381 . 0 0 "[ . 1 . 2]" 2
206 2 20 ILE MG 2 72 PHE QE 3.200 . 4.500 2.923 2.203 3.491 . 0 0 "[ . 1 . 2]" 2
207 2 72 PHE QD 2 78 LEU HB2 3.500 . 5.100 2.773 1.878 3.099 0.022 20 0 "[ . 1 . 2]" 2
208 2 20 ILE MG 2 72 PHE QD 3.000 . 4.100 2.827 1.893 3.157 0.007 20 0 "[ . 1 . 2]" 2
209 1 7 LEU QD 2 82 PHE HZ 2.700 . 3.600 2.248 1.822 2.707 . 0 0 "[ . 1 . 2]" 2
210 1 8 LEU QD 2 39 HIS HD2 3.800 . 5.600 2.745 2.084 4.199 . 0 0 "[ . 1 . 2]" 2
211 2 47 ASN HB3 2 55 TYR QE 3.100 . 4.300 3.424 2.640 3.807 . 0 0 "[ . 1 . 2]" 2
212 2 44 GLU HG2 2 55 TYR QE 3.300 . 4.700 4.045 2.542 5.061 0.361 17 0 "[ . 1 . 2]" 2
213 2 45 GLN HB2 2 55 TYR QE 3.500 . 5.000 4.143 2.526 5.008 0.008 3 0 "[ . 1 . 2]" 2
214 2 55 TYR HA 2 55 TYR QE 3.900 . 5.800 4.368 4.180 4.557 . 0 0 "[ . 1 . 2]" 2
215 2 16 TYR QE 2 81 GLU HA 4.000 . 6.000 3.337 3.020 3.779 . 0 0 "[ . 1 . 2]" 2
216 1 11 ALA HA 2 31 TYR QE 4.300 . 6.000 4.205 4.083 4.358 . 0 0 "[ . 1 . 2]" 2
217 2 31 TYR QE 2 34 PHE HB3 4.000 . 6.000 4.753 4.412 5.081 . 0 0 "[ . 1 . 2]" 2
218 2 16 TYR QE 2 19 LYS HE2 3.000 . 4.100 3.731 3.179 4.068 . 0 0 "[ . 1 . 2]" 2
219 2 16 TYR QE 2 81 GLU HG3 3.100 . 4.300 3.143 2.494 4.062 . 0 0 "[ . 1 . 2]" 2
220 2 41 TYR QE 2 44 GLU HB2 3.400 . 4.800 4.569 4.081 5.070 0.270 20 0 "[ . 1 . 2]" 2
221 2 16 TYR QE 2 81 GLU HB2 2.800 . 3.800 2.436 1.924 3.339 . 0 0 "[ . 1 . 2]" 2
222 1 4 ILE HG13 2 41 TYR QE 2.700 . 3.600 2.851 2.353 3.310 . 0 0 "[ . 1 . 2]" 2
223 1 4 ILE HG12 2 41 TYR QE 2.700 . 3.600 2.723 2.216 3.311 . 0 0 "[ . 1 . 2]" 2
224 2 16 TYR QE 2 17 VAL MG2 2.600 . 3.500 3.500 3.345 3.558 0.058 16 0 "[ . 1 . 2]" 2
225 1 4 ILE MG 2 41 TYR QE 3.300 . 4.700 3.640 3.246 3.806 . 0 0 "[ . 1 . 2]" 2
226 1 14 LEU QD 2 31 TYR QE 3.400 . 4.800 4.102 3.486 4.666 . 0 0 "[ . 1 . 2]" 2
227 1 7 LEU QD 2 16 TYR QE 2.500 . 3.300 2.533 2.121 2.854 . 0 0 "[ . 1 . 2]" 2
228 1 4 ILE MD 2 41 TYR QE 2.400 . 3.100 2.352 2.001 2.666 . 0 0 "[ . 1 . 2]" 2
229 2 16 TYR QE 2 38 LEU QD 3.000 . 4.100 3.093 2.319 3.432 . 0 0 "[ . 1 . 2]" 2
230 2 65 TYR QE 2 82 PHE HB2 3.600 . 5.200 3.890 2.544 4.859 . 0 0 "[ . 1 . 2]" 2
231 1 7 LEU HB3 2 16 TYR QE 3.300 . 4.700 3.892 3.287 4.157 . 0 0 "[ . 1 . 2]" 2
232 2 21 LYS HB3 2 31 TYR QD 4.000 . 6.000 4.063 3.305 4.870 . 0 0 "[ . 1 . 2]" 2
233 2 21 LYS HB2 2 31 TYR QD 3.700 . 5.400 3.386 3.160 3.603 . 0 0 "[ . 1 . 2]" 2
234 2 23 ARG QG 2 24 PHE QE 4.300 . 6.000 3.722 2.812 4.500 . 0 0 "[ . 1 . 2]" 2
235 1 6 MET HG2 2 10 PHE QD 4.200 . 6.000 4.116 3.262 5.397 . 0 0 "[ . 1 . 2]" 2
236 1 7 LEU QD 2 82 PHE QE 2.700 . 3.600 2.119 1.814 2.371 . 0 0 "[ . 1 . 2]" 2
237 2 68 VAL HB 2 72 PHE QD 3.800 . 5.600 3.875 3.558 4.244 . 0 0 "[ . 1 . 2]" 2
238 2 72 PHE QD 2 75 GLN HB3 3.800 . 5.600 3.596 2.235 4.856 . 0 0 "[ . 1 . 2]" 2
239 2 30 ILE HG13 2 30 ILE MG 2.300 . 3.000 2.253 2.099 2.371 . 0 0 "[ . 1 . 2]" 2
240 2 34 PHE HB2 2 37 ILE MD 3.300 . 4.700 2.850 2.519 3.861 . 0 0 "[ . 1 . 2]" 2
241 2 33 ALA MB 2 37 ILE MD 3.500 . 5.100 3.367 3.117 3.544 . 0 0 "[ . 1 . 2]" 2
242 2 34 PHE HB3 2 37 ILE MD 4.500 . 6.000 3.965 3.753 4.486 . 0 0 "[ . 1 . 2]" 2
243 2 16 TYR QE 2 20 ILE MD 2.800 . 3.800 1.876 1.839 1.912 . 0 0 "[ . 1 . 2]" 2
244 2 20 ILE MD 2 38 LEU QD 3.300 . 4.700 2.615 2.271 2.923 . 0 0 "[ . 1 . 2]" 2
245 2 55 TYR QE 2 59 LEU HB3 3.900 . 5.800 3.954 2.454 4.995 . 0 0 "[ . 1 . 2]" 2
246 2 55 TYR QE 2 59 LEU HB2 3.800 . 5.600 4.774 3.351 5.558 . 0 0 "[ . 1 . 2]" 2
247 2 24 PHE HB2 2 30 ILE MD 4.000 . 6.000 4.555 3.423 5.141 . 0 0 "[ . 1 . 2]" 2
248 2 71 LEU H 2 71 LEU HB2 3.100 . 4.300 2.296 2.129 3.220 . 0 0 "[ . 1 . 2]" 2
249 2 2 LEU HA 2 2 LEU HB3 3.400 . 4.800 2.349 2.191 2.520 . 0 0 "[ . 1 . 2]" 2
250 2 43 LYS QE 2 43 LYS HG3 2.800 . 3.800 2.544 2.149 3.218 . 0 0 "[ . 1 . 2]" 2
251 2 32 LYS QE 2 32 LYS HG2 2.800 . 3.800 2.281 2.078 3.045 . 0 0 "[ . 1 . 2]" 2
252 2 19 LYS HE2 2 19 LYS HG3 3.200 . 4.400 2.984 2.076 3.653 . 0 0 "[ . 1 . 2]" 2
253 2 32 LYS HA 2 35 LEU HB3 3.800 . 5.600 3.859 3.319 4.466 . 0 0 "[ . 1 . 2]" 2
254 2 48 ALA MB 2 55 TYR HB3 2.900 . 4.000 2.717 2.089 3.266 . 0 0 "[ . 1 . 2]" 2
255 1 8 LEU QD 2 38 LEU HB3 2.700 . 3.600 1.887 1.710 2.075 0.090 20 0 "[ . 1 . 2]" 2
256 1 8 LEU QD 2 38 LEU HB2 2.700 . 3.600 1.938 1.747 2.300 0.053 4 0 "[ . 1 . 2]" 2
257 1 14 LEU QD 2 18 ASN HB3 3.400 . 4.800 3.871 3.328 4.262 . 0 0 "[ . 1 . 2]" 2
258 2 34 PHE HB2 2 34 PHE QD 2.600 . 3.500 2.644 2.518 2.733 . 0 0 "[ . 1 . 2]" 2
259 2 37 ILE MG 2 41 TYR HB3 3.200 . 4.500 3.489 2.972 3.840 . 0 0 "[ . 1 . 2]" 2
260 2 79 LEU HA 2 82 PHE HB3 2.800 . 3.800 2.461 2.194 2.780 . 0 0 "[ . 1 . 2]" 2
261 2 11 ASN HA 2 11 ASN HB3 2.400 . 3.100 2.604 2.352 2.698 . 0 0 "[ . 1 . 2]" 2
262 2 15 ASN HA 2 15 ASN HB2 2.100 . 2.600 2.096 2.037 2.283 . 0 0 "[ . 1 . 2]" 2
263 2 9 GLU HA 2 9 GLU HG3 3.500 . 5.100 2.643 2.217 3.312 . 0 0 "[ . 1 . 2]" 2
264 2 50 GLU HA 2 50 GLU HG3 2.600 . 3.500 2.669 2.203 3.312 . 0 0 "[ . 1 . 2]" 2
265 2 36 GLU HA 2 36 GLU QG 2.600 . 3.500 2.520 2.157 2.875 . 0 0 "[ . 1 . 2]" 2
266 2 16 TYR QD 2 81 GLU HG3 3.100 . 4.300 2.449 1.781 3.695 0.119 6 0 "[ . 1 . 2]" 2
267 2 16 TYR QD 2 81 GLU HG3 3.400 . 4.800 2.637 1.959 3.873 0.041 4 0 "[ . 1 . 2]" 2
268 2 30 ILE H 2 30 ILE HB 2.300 . 3.000 1.947 1.888 1.984 . 0 0 "[ . 1 . 2]" 2
269 2 37 ILE MG 2 64 VAL HA 2.300 . 3.000 2.219 2.096 2.510 . 0 0 "[ . 1 . 2]" 2
270 2 41 TYR QD 2 64 VAL HA 3.800 . 5.600 3.502 2.764 4.227 . 0 0 "[ . 1 . 2]" 2
271 2 34 PHE QD 2 68 VAL HA 2.800 . 3.800 2.434 1.931 2.867 . 0 0 "[ . 1 . 2]" 2
272 2 68 VAL HA 2 68 VAL HB 2.700 . 3.600 2.969 2.707 2.997 . 0 0 "[ . 1 . 2]" 2
273 2 42 GLN HA 2 42 GLN HG2 2.900 . 4.000 2.456 2.205 2.981 . 0 0 "[ . 1 . 2]" 2
274 2 42 GLN HA 2 45 GLN HG2 2.700 . 3.600 2.601 2.227 2.925 . 0 0 "[ . 1 . 2]" 2
275 2 17 VAL HA 2 17 VAL HB 2.700 . 3.600 2.718 2.595 2.849 . 0 0 "[ . 1 . 2]" 2
276 2 20 ILE HA 2 23 ARG QG 3.500 . 5.100 2.896 2.693 3.291 . 0 0 "[ . 1 . 2]" 2
277 2 20 ILE HA 2 20 ILE HG13 3.000 . 4.100 2.725 2.510 2.923 . 0 0 "[ . 1 . 2]" 2
278 2 30 ILE HA 2 30 ILE HG13 2.400 . 3.100 2.555 2.341 2.735 . 0 0 "[ . 1 . 2]" 2
279 2 37 ILE MG 2 65 TYR HA 2.900 . 4.000 2.689 2.449 3.098 . 0 0 "[ . 1 . 2]" 2
280 2 61 GLU HA 2 61 GLU HB3 2.300 . 2.900 2.378 2.296 2.671 . 0 0 "[ . 1 . 2]" 2
281 2 41 TYR QE 2 61 GLU HA 3.000 . 4.100 2.835 1.916 3.392 . 0 0 "[ . 1 . 2]" 2
282 1 8 LEU QD 2 38 LEU HB2 3.700 . 5.400 2.137 1.796 2.886 0.204 4 0 "[ . 1 . 2]" 2
283 2 41 TYR HA 2 41 TYR HB3 2.700 . 3.600 2.667 2.452 2.812 . 0 0 "[ . 1 . 2]" 2
284 2 34 PHE HA 2 34 PHE HB2 2.600 . 3.500 2.208 2.182 2.255 . 0 0 "[ . 1 . 2]" 2
285 2 16 TYR HA 2 16 TYR HB3 3.000 . 4.100 2.461 2.194 2.780 . 0 0 "[ . 1 . 2]" 2
286 2 72 PHE HB2 2 75 GLN HB3 3.800 . 5.600 4.136 2.565 5.390 . 0 0 "[ . 1 . 2]" 2
287 2 20 ILE MG 2 72 PHE HB3 3.200 . 6.000 4.027 3.275 4.567 . 0 0 "[ . 1 . 2]" 2
288 2 27 GLN HB2 2 27 GLN HG3 2.100 . 2.700 2.121 1.987 2.265 . 0 0 "[ . 1 . 2]" 2
289 2 27 GLN HB2 2 27 GLN HG2 2.000 . 2.500 2.169 2.021 2.291 . 0 0 "[ . 1 . 2]" 2
290 2 27 GLN HG2 2 30 ILE MD 3.400 . 4.900 4.141 3.156 4.780 . 0 0 "[ . 1 . 2]" 2
291 2 29 ASP HA 2 32 LYS HB2 2.400 . 3.100 2.622 2.412 2.873 . 0 0 "[ . 1 . 2]" 2
292 2 57 PRO HA 2 57 PRO HB3 2.200 . 2.800 2.043 2.031 2.066 . 0 0 "[ . 1 . 2]" 2
293 2 32 LYS HA 2 32 LYS QB 2.300 . 3.000 2.323 2.253 2.393 . 0 0 "[ . 1 . 2]" 2
294 2 19 LYS HA 2 19 LYS HB3 2.300 . 2.900 2.352 2.165 2.513 . 0 0 "[ . 1 . 2]" 2
295 2 19 LYS HA 2 19 LYS QB 2.100 . 2.600 2.170 2.118 2.290 . 0 0 "[ . 1 . 2]" 2
296 2 46 ARG HA 2 49 LYS HB2 2.500 . 3.300 2.445 2.285 2.948 . 0 0 "[ . 1 . 2]" 2
297 2 16 TYR HA 2 19 LYS HB3 2.600 . 3.500 2.500 2.367 2.607 . 0 0 "[ . 1 . 2]" 2
298 2 19 LYS QB 2 19 LYS QD 2.100 . 2.700 1.912 1.837 1.996 . 0 0 "[ . 1 . 2]" 2
299 2 19 LYS HB2 2 19 LYS HG3 2.100 . 2.600 1.974 1.915 2.016 . 0 0 "[ . 1 . 2]" 2
300 2 32 LYS QB 2 32 LYS HG2 2.100 . 2.700 2.070 1.926 2.120 . 0 0 "[ . 1 . 2]" 2
301 2 19 LYS HB3 2 23 ARG QG 3.600 . 5.200 3.846 2.957 4.520 . 0 0 "[ . 1 . 2]" 2
302 2 30 ILE H 2 30 ILE HA 2.600 . 3.500 2.212 2.181 2.250 . 0 0 "[ . 1 . 2]" 2
303 2 19 LYS HB2 2 19 LYS HG3 2.200 . 2.800 1.948 1.894 1.987 . 0 0 "[ . 1 . 2]" 2
304 1 14 LEU QD 2 17 VAL HB 2.900 . 3.900 2.945 2.592 3.191 . 0 0 "[ . 1 . 2]" 2
305 2 27 GLN HB3 2 30 ILE MD 3.800 . 5.600 3.659 3.125 4.310 . 0 0 "[ . 1 . 2]" 2
306 2 34 PHE QD 2 68 VAL HB 3.300 . 4.700 2.524 2.052 3.565 . 0 0 "[ . 1 . 2]" 2
307 2 46 ARG HA 2 46 ARG QB 2.300 . 2.900 2.109 2.081 2.179 . 0 0 "[ . 1 . 2]" 2
308 2 19 LYS QD 2 19 LYS HG3 1.900 . 2.400 2.078 1.997 2.132 . 0 0 "[ . 1 . 2]" 2
309 2 46 ARG QB 2 46 ARG HG2 2.100 . 2.600 2.088 1.987 2.136 . 0 0 "[ . 1 . 2]" 2
310 2 50 GLU HB2 2 50 GLU HG3 2.400 . 3.100 2.262 2.128 2.363 . 0 0 "[ . 1 . 2]" 2
311 2 9 GLU HA 2 9 GLU QB 2.200 . 2.800 2.277 2.164 2.327 . 0 0 "[ . 1 . 2]" 2
312 2 6 GLN QB 2 6 GLN HG3 2.100 . 2.600 2.193 2.097 2.305 . 0 0 "[ . 1 . 2]" 2
313 2 16 TYR QD 2 81 GLU HB3 2.900 . 4.000 3.020 2.061 3.560 . 0 0 "[ . 1 . 2]" 2
314 2 80 SER HA 2 80 SER QB 2.000 . 2.500 2.136 2.037 2.177 . 0 0 "[ . 1 . 2]" 2
315 2 47 ASN HA 2 50 GLU HB2 3.100 . 4.300 2.853 2.347 3.489 . 0 0 "[ . 1 . 2]" 2
316 2 33 ALA HA 2 36 GLU HB2 2.100 . 2.700 2.289 2.144 2.330 . 0 0 "[ . 1 . 2]" 2
317 2 44 GLU QB 2 45 GLN HB2 2.200 . 6.000 3.701 2.889 4.639 . 0 0 "[ . 1 . 2]" 2
318 2 44 GLU QB 2 59 LEU HA 3.500 . 5.000 4.931 4.463 5.407 0.407 11 0 "[ . 1 . 2]" 2
319 2 33 ALA HA 2 37 ILE HG13 3.400 . 4.800 3.190 1.982 3.822 0.018 19 0 "[ . 1 . 2]" 2
320 2 37 ILE HG13 2 37 ILE MG 3.000 . 4.100 2.984 2.829 3.111 . 0 0 "[ . 1 . 2]" 2
321 2 49 LYS HA 2 49 LYS QD 3.400 . 4.900 3.317 2.001 3.928 . 0 0 "[ . 1 . 2]" 2
322 2 37 ILE MG 2 67 GLN HB2 2.800 . 3.800 2.868 2.520 3.196 . 0 0 "[ . 1 . 2]" 2
323 2 19 LYS HA 2 19 LYS HG3 2.500 . 3.300 2.353 2.278 2.520 . 0 0 "[ . 1 . 2]" 2
324 2 19 LYS HA 2 19 LYS HB2 2.200 . 2.800 2.134 2.118 2.156 . 0 0 "[ . 1 . 2]" 2
325 2 14 ILE H 2 14 ILE HG13 2.900 . 6.000 1.798 1.714 1.889 . 0 0 "[ . 1 . 2]" 2
326 2 25 GLN HA 2 25 GLN HB2 2.300 . 3.000 2.289 2.162 2.428 . 0 0 "[ . 1 . 2]" 2
327 2 42 GLN HA 2 45 GLN HB2 2.500 . 3.300 2.455 2.339 2.658 . 0 0 "[ . 1 . 2]" 2
328 2 36 GLU HA 2 39 HIS HB2 2.600 . 3.400 2.391 2.199 2.577 . 0 0 "[ . 1 . 2]" 2
329 2 36 GLU HA 2 36 GLU QB 2.100 . 2.600 2.239 2.118 2.341 . 0 0 "[ . 1 . 2]" 2
330 2 46 ARG HA 2 46 ARG HG2 2.600 . 3.400 2.697 2.261 2.995 . 0 0 "[ . 1 . 2]" 2
331 2 28 PRO HD3 2 28 PRO HG2 2.100 . 2.700 2.576 2.492 2.665 . 0 0 "[ . 1 . 2]" 2
332 2 7 PRO HD3 2 7 PRO QG 2.100 . 2.600 2.007 1.988 2.022 . 0 0 "[ . 1 . 2]" 2
333 2 7 PRO HD3 2 7 PRO QG 2.000 . 2.500 1.862 1.845 1.881 . 0 0 "[ . 1 . 2]" 2
334 2 43 LYS HA 2 46 ARG QB 2.200 . 2.800 2.510 2.324 2.675 . 0 0 "[ . 1 . 2]" 2
335 2 23 ARG HB3 2 23 ARG QG 3.200 . 4.500 1.950 1.909 1.993 . 0 0 "[ . 1 . 2]" 2
336 2 46 ARG QD 2 46 ARG HG2 2.300 . 3.000 2.028 1.935 2.098 . 0 0 "[ . 1 . 2]" 2
337 2 46 ARG HA 2 46 ARG HG3 2.400 . 3.100 2.517 1.934 2.977 . 0 0 "[ . 1 . 2]" 2
338 2 46 ARG HA 2 46 ARG HB2 1.800 . 2.200 2.039 2.006 2.174 . 0 0 "[ . 1 . 2]" 2
339 2 49 LYS HA 2 49 LYS QB 2.000 . 2.500 2.245 2.131 2.381 . 0 0 "[ . 1 . 2]" 2
340 2 81 GLU HA 2 81 GLU HB3 2.200 . 2.800 2.443 1.950 2.977 0.177 15 0 "[ . 1 . 2]" 2
341 2 42 GLN HA 2 45 GLN HB2 2.500 . 3.300 2.245 2.111 2.479 . 0 0 "[ . 1 . 2]" 2
342 2 44 GLU HA 2 44 GLU HG2 2.700 . 3.600 2.712 2.263 3.298 . 0 0 "[ . 1 . 2]" 2
343 2 25 GLN HA 2 25 GLN HB2 2.200 . 2.800 2.259 2.185 2.381 . 0 0 "[ . 1 . 2]" 2
344 2 46 ARG HA 2 46 ARG QD 3.400 . 4.800 3.248 1.988 3.799 0.012 14 0 "[ . 1 . 2]" 2
345 2 20 ILE MG 2 25 GLN HA 3.700 . 5.400 4.231 4.005 4.524 . 0 0 "[ . 1 . 2]" 2
346 2 24 PHE QE 2 73 LYS HA 3.400 . 4.900 4.543 4.205 4.763 . 0 0 "[ . 1 . 2]" 2
347 2 49 LYS HA 2 49 LYS QD 3.200 . 4.500 2.861 1.982 3.375 . 0 0 "[ . 1 . 2]" 2
348 2 48 ALA MB 2 49 LYS HA 3.000 . 4.100 2.748 2.310 3.402 . 0 0 "[ . 1 . 2]" 2
349 1 8 LEU QD 2 38 LEU HA 2.800 . 3.800 2.253 2.049 2.876 . 0 0 "[ . 1 . 2]" 2
350 1 8 LEU QD 2 35 LEU HA 2.900 . 4.000 2.829 2.286 3.272 . 0 0 "[ . 1 . 2]" 2
351 2 20 ILE HB 2 78 LEU QD 3.000 . 4.200 2.314 1.700 3.000 0.100 16 0 "[ . 1 . 2]" 2
352 2 34 PHE HB3 2 35 LEU HG 3.100 . 4.300 2.863 2.777 2.923 . 0 0 "[ . 1 . 2]" 2
353 1 5 GLN HA 2 38 LEU QD 4.700 . 6.000 3.748 3.002 4.608 . 0 0 "[ . 1 . 2]" 2
354 1 4 ILE HB 2 38 LEU QD 4.300 . 6.000 3.155 2.898 3.615 . 0 0 "[ . 1 . 2]" 2
355 2 34 PHE HZ 2 38 LEU QD 3.200 . 3.400 2.116 2.006 2.208 . 0 0 "[ . 1 . 2]" 2
356 2 37 ILE MG 2 38 LEU QD 3.000 . 4.100 2.367 2.070 2.965 . 0 0 "[ . 1 . 2]" 2
357 2 16 TYR QE 2 78 LEU QD 3.800 . 5.600 2.557 2.068 2.859 . 0 0 "[ . 1 . 2]" 2
358 2 3 GLN HA 2 3 GLN HG2 2.800 . 3.800 2.578 2.217 3.354 . 0 0 "[ . 1 . 2]" 2
359 2 3 GLN HA 2 3 GLN HG3 2.900 . 3.900 2.874 2.403 3.524 . 0 0 "[ . 1 . 2]" 2
360 2 16 TYR QD 2 78 LEU HA 2.900 . 4.000 2.930 2.863 2.964 . 0 0 "[ . 1 . 2]" 2
361 2 15 ASN HA 2 18 ASN HB2 2.400 . 3.100 2.534 2.297 2.952 . 0 0 "[ . 1 . 2]" 2
362 2 40 THR MG 2 59 LEU MD1 2.300 . 3.000 1.929 1.673 2.408 . 0 0 "[ . 1 . 2]" 2
363 2 2 LEU HB2 2 2 LEU MD1 2.500 . 3.300 2.155 1.974 2.291 . 0 0 "[ . 1 . 2]" 2
364 2 71 LEU HB2 2 71 LEU QD 2.600 . 3.400 1.997 1.917 2.035 . 0 0 "[ . 1 . 2]" 2
365 2 33 ALA MB 2 71 LEU QD 2.300 . 3.000 1.764 1.685 1.861 . 0 0 "[ . 1 . 2]" 2
366 2 43 LYS QD 2 43 LYS HG3 1.800 . 2.200 2.067 2.001 2.131 . 0 0 "[ . 1 . 2]" 2
367 2 1 SER HB3 2 2 LEU MD1 3.300 . 4.600 3.151 2.002 3.854 . 0 0 "[ . 1 . 2]" 2
368 2 40 THR HB 2 59 LEU MD1 2.900 . 3.900 1.908 1.732 2.105 0.168 11 0 "[ . 1 . 2]" 2
369 2 16 TYR HA 2 19 LYS HG3 3.600 . 5.200 4.204 3.505 5.024 . 0 0 "[ . 1 . 2]" 2
370 2 32 LYS QE 2 32 LYS HG2 3.300 . 4.700 2.342 2.110 3.070 . 0 0 "[ . 1 . 2]" 2
371 2 19 LYS HG2 2 23 ARG QG 2.800 . 3.800 2.846 2.400 3.541 . 0 0 "[ . 1 . 2]" 2
372 2 30 ILE MG 2 71 LEU QD 3.300 . 6.000 2.302 1.876 2.465 . 0 0 "[ . 1 . 2]" 2
373 2 11 ASN HA 2 14 ILE MD 2.600 . 3.400 2.200 1.863 2.358 . 0 0 "[ . 1 . 2]" 2
374 2 2 LEU HA 2 2 LEU HB2 2.600 . 3.400 2.371 2.189 2.551 . 0 0 "[ . 1 . 2]" 2
375 2 61 GLU HA 2 86 LEU QD 3.200 . 4.500 2.373 2.011 2.897 . 0 0 "[ . 1 . 2]" 2
376 1 7 LEU HA 2 17 VAL MG1 3.400 . 4.800 4.723 4.479 4.850 0.050 12 0 "[ . 1 . 2]" 2
377 2 61 GLU HB2 2 86 LEU QD 3.900 . 5.800 3.755 3.129 4.169 . 0 0 "[ . 1 . 2]" 2
378 2 37 ILE HA 2 64 VAL MG2 3.200 . 4.500 3.025 2.071 3.551 . 0 0 "[ . 1 . 2]" 2
379 2 11 ASN HA 2 17 VAL MG2 3.200 . 6.000 5.299 5.267 5.325 . 0 0 "[ . 1 . 2]" 2
380 1 11 ALA HA 2 17 VAL MG2 2.700 . 3.600 3.166 2.853 3.398 . 0 0 "[ . 1 . 2]" 2
381 2 16 TYR HB3 2 17 VAL MG2 2.600 . 3.500 2.312 2.283 2.344 . 0 0 "[ . 1 . 2]" 2
382 2 64 VAL HB 2 64 VAL MG2 2.300 . 2.900 1.933 1.880 1.975 . 0 0 "[ . 1 . 2]" 2
383 2 71 LEU HB3 2 71 LEU QD 2.200 . 2.800 1.890 1.876 1.928 . 0 0 "[ . 1 . 2]" 2
384 2 14 ILE HG12 2 17 VAL MG2 3.000 . 4.100 3.739 3.368 4.093 . 0 0 "[ . 1 . 2]" 2
385 2 15 ASN HA 2 18 ASN HB2 2.200 . 2.800 2.656 2.287 2.951 0.151 15 0 "[ . 1 . 2]" 2
386 2 18 ASN HA 2 18 ASN HB2 2.200 . 2.800 2.349 2.209 2.695 . 0 0 "[ . 1 . 2]" 2
387 1 14 LEU QD 2 18 ASN HA 3.000 . 4.100 2.677 1.889 3.359 0.011 11 0 "[ . 1 . 2]" 2
388 2 34 PHE HA 2 68 VAL QG 3.300 . 4.600 3.069 2.903 3.336 . 0 0 "[ . 1 . 2]" 2
389 1 3 ASN QD 2 86 LEU QD 3.100 . 6.000 2.206 1.650 2.457 . 0 0 "[ . 1 . 2]" 2
390 2 48 ALA HA 2 48 ALA MB 2.200 . 2.800 2.059 1.974 2.096 . 0 0 "[ . 1 . 2]" 2
391 2 6 GLN HA 2 6 GLN HG3 3.000 . 4.200 2.766 2.315 3.223 . 0 0 "[ . 1 . 2]" 2
392 2 19 LYS HE3 2 78 LEU QD 3.300 . 4.700 2.931 2.142 3.893 . 0 0 "[ . 1 . 2]" 2
393 2 19 LYS QE 2 78 LEU QD 3.300 . 4.600 2.709 2.102 3.385 . 0 0 "[ . 1 . 2]" 2
394 2 19 LYS QB 2 78 LEU QD 3.000 . 4.100 3.616 2.783 3.967 . 0 0 "[ . 1 . 2]" 2
395 2 38 LEU HB3 2 38 LEU QD 2.500 . 3.300 1.944 1.878 1.975 . 0 0 "[ . 1 . 2]" 2
396 1 4 ILE MG 2 38 LEU QD 2.800 . 3.800 1.875 1.686 2.055 0.114 14 0 "[ . 1 . 2]" 2
397 1 4 ILE HA 2 38 LEU QD 2.600 . 3.500 2.184 2.032 2.658 . 0 0 "[ . 1 . 2]" 2
398 2 34 PHE HA 2 64 VAL MG1 4.100 . 6.000 3.115 2.736 3.876 . 0 0 "[ . 1 . 2]" 2
399 2 37 ILE MG 2 68 VAL QG 3.000 . 4.100 2.296 1.857 3.210 0.043 12 0 "[ . 1 . 2]" 2
400 1 7 LEU QD 2 38 LEU QD 2.400 . 3.100 2.210 1.937 2.343 . 0 0 "[ . 1 . 2]" 2
401 1 7 LEU HA 2 38 LEU QD 3.800 . 5.600 3.606 2.982 4.278 . 0 0 "[ . 1 . 2]" 2
402 2 72 PHE HA 2 73 LYS HB2 4.300 . 6.000 4.441 3.672 5.033 . 0 0 "[ . 1 . 2]" 2
403 2 6 GLN HB3 2 7 PRO HD3 3.300 . 4.700 3.233 2.830 3.841 . 0 0 "[ . 1 . 2]" 2
404 2 6 GLN HB3 2 7 PRO QD 2.900 . 4.000 2.789 2.138 3.392 . 0 0 "[ . 1 . 2]" 2
405 2 27 GLN HG3 2 28 PRO HD2 3.500 . 5.000 3.702 3.314 3.819 . 0 0 "[ . 1 . 2]" 2
406 1 7 LEU HA 2 13 ALA MB 2.100 . 2.600 2.004 1.810 2.061 . 0 0 "[ . 1 . 2]" 2
407 2 6 GLN HG2 2 7 PRO HD3 3.400 . 4.800 4.341 3.750 5.623 0.823 14 1 "[ . 1 +. 2]" 2
408 2 20 ILE MG 2 24 PHE HB3 3.700 . 5.400 3.906 3.610 4.199 . 0 0 "[ . 1 . 2]" 2
409 2 20 ILE MG 2 68 VAL QG 2.600 . 3.400 2.075 1.876 2.315 . 0 0 "[ . 1 . 2]" 2
410 2 11 ASN HA 2 14 ILE MG 3.900 . 5.800 4.103 3.688 4.365 . 0 0 "[ . 1 . 2]" 2
411 2 14 ILE MG 2 15 ASN HB2 3.500 . 5.000 3.615 3.327 4.197 . 0 0 "[ . 1 . 2]" 2
412 2 24 PHE QD 2 30 ILE MG 3.800 . 5.600 2.974 2.778 3.152 . 0 0 "[ . 1 . 2]" 2
413 2 34 PHE HB2 2 34 PHE QD 2.900 . 3.900 2.604 2.492 2.643 . 0 0 "[ . 1 . 2]" 2
414 2 44 GLU HA 2 44 GLU HG2 2.600 . 3.400 2.652 2.257 3.259 . 0 0 "[ . 1 . 2]" 2
415 2 50 GLU HB3 2 51 ALA HA 3.800 . 5.600 3.464 2.781 3.853 . 0 0 "[ . 1 . 2]" 2
416 2 78 LEU HA 2 81 GLU HB2 3.300 . 4.700 3.141 2.694 3.757 . 0 0 "[ . 1 . 2]" 2
417 2 7 PRO HA 2 7 PRO QG 3.600 . 5.200 3.275 2.930 3.409 . 0 0 "[ . 1 . 2]" 2
418 2 19 LYS HG3 2 23 ARG QG 3.600 . 5.300 3.662 2.882 4.625 . 0 0 "[ . 1 . 2]" 2
419 1 10 ALA HA 2 14 ILE MG 4.600 . 6.000 4.576 4.132 4.844 . 0 0 "[ . 1 . 2]" 2
420 1 7 LEU QD 2 35 LEU MD2 2.600 . 3.400 2.929 2.207 3.289 . 0 0 "[ . 1 . 2]" 2
421 1 11 ALA HA 2 35 LEU MD2 4.500 . 6.000 4.147 3.961 4.279 . 0 0 "[ . 1 . 2]" 2
422 2 37 ILE MG 2 59 LEU HG 3.200 . 4.500 3.606 2.296 4.514 0.014 11 0 "[ . 1 . 2]" 2
423 2 37 ILE HB 2 68 VAL QG 4.100 . 6.000 3.369 2.910 3.911 . 0 0 "[ . 1 . 2]" 2
424 2 34 PHE HB3 2 68 VAL QG 4.700 . 6.000 3.080 1.972 3.308 . 0 0 "[ . 1 . 2]" 2
425 2 34 PHE QD 2 68 VAL QG 2.300 . 3.000 1.886 1.795 2.068 . 0 0 "[ . 1 . 2]" 2
426 2 16 TYR QE 2 68 VAL QG 2.500 . 3.300 2.191 1.978 3.220 . 0 0 "[ . 1 . 2]" 2
427 2 1 SER HB2 2 2 LEU MD1 3.800 . 5.600 3.149 2.452 3.547 . 0 0 "[ . 1 . 2]" 2
428 1 8 LEU HB3 2 17 VAL MG2 3.900 . 5.800 5.144 4.373 5.655 . 0 0 "[ . 1 . 2]" 2
429 1 7 LEU QD 2 83 GLY HA3 3.600 . 5.200 3.631 3.112 4.237 . 0 0 "[ . 1 . 2]" 2
430 2 38 LEU QD 2 64 VAL MG1 2.600 . 3.500 1.941 1.708 2.062 . 0 0 "[ . 1 . 2]" 2
431 1 4 ILE HG12 2 64 VAL MG1 3.900 . 5.800 3.742 3.360 3.951 . 0 0 "[ . 1 . 2]" 2
432 2 33 ALA MB 2 64 VAL MG1 3.700 . 5.400 3.475 2.440 3.768 . 0 0 "[ . 1 . 2]" 2
433 2 30 ILE HA 2 71 LEU QD 3.600 . 5.300 2.313 1.986 2.790 . 0 0 "[ . 1 . 2]" 2
434 2 34 PHE HA 2 71 LEU QD 3.900 . 5.800 3.023 2.590 3.264 . 0 0 "[ . 1 . 2]" 2
435 2 64 VAL MG2 2 68 VAL QG 2.900 . 3.900 2.004 1.878 2.595 0.022 20 0 "[ . 1 . 2]" 2
436 1 13 TYR QD 2 14 ILE MD 2.800 . 3.800 2.729 2.555 2.893 . 0 0 "[ . 1 . 2]" 2
437 2 16 TYR HB3 2 16 TYR QE 3.200 . 4.400 4.084 3.993 4.231 . 0 0 "[ . 1 . 2]" 2
438 2 16 TYR HB2 2 16 TYR QE 3.500 . 5.000 3.817 3.186 4.062 . 0 0 "[ . 1 . 2]" 2
439 2 9 GLU HG3 2 85 PHE QE 3.700 . 5.400 3.806 2.537 4.929 . 0 0 "[ . 1 . 2]" 2
440 2 16 TYR QE 2 17 VAL HA 3.800 . 5.600 3.622 3.264 4.035 . 0 0 "[ . 1 . 2]" 2
441 2 34 PHE QD 2 68 VAL HB 4.200 . 6.000 4.928 4.594 5.142 . 0 0 "[ . 1 . 2]" 2
442 2 65 TYR QD 2 68 VAL HB 3.300 . 4.700 4.132 3.860 4.365 . 0 0 "[ . 1 . 2]" 2
443 2 16 TYR QE 2 82 PHE HA 3.200 . 4.500 3.368 2.511 4.102 . 0 0 "[ . 1 . 2]" 2
444 2 23 ARG HB3 2 24 PHE QE 3.300 . 4.700 3.366 2.101 4.204 . 0 0 "[ . 1 . 2]" 2
445 2 16 TYR QD 2 17 VAL MG1 3.100 . 4.300 4.024 3.730 4.250 . 0 0 "[ . 1 . 2]" 2
446 2 16 TYR QE 2 17 VAL MG2 2.600 . 6.000 3.792 3.505 4.043 . 0 0 "[ . 1 . 2]" 2
447 2 10 PHE QE 2 17 VAL MG2 3.500 . 6.000 5.287 5.131 5.524 . 0 0 "[ . 1 . 2]" 2
448 2 16 TYR QE 2 79 LEU QD 3.300 . 4.700 3.297 2.764 3.834 . 0 0 "[ . 1 . 2]" 2
449 2 34 PHE QD 2 71 LEU QD 3.200 . 4.300 3.058 2.654 3.434 . 0 0 "[ . 1 . 2]" 2
450 2 65 TYR QD 2 68 VAL QG 2.900 . 4.000 3.087 2.795 3.583 . 0 0 "[ . 1 . 2]" 2
451 2 34 PHE QD 2 68 VAL QG 2.800 . 3.800 2.404 1.914 2.672 . 0 0 "[ . 1 . 2]" 2
452 2 20 ILE MG 2 24 PHE QE 2.700 . 3.600 2.826 2.434 3.333 . 0 0 "[ . 1 . 2]" 2
453 2 16 TYR QE 2 20 ILE MG 3.000 . 4.100 3.764 3.436 4.105 0.005 2 0 "[ . 1 . 2]" 2
454 2 20 ILE MG 2 34 PHE QD 2.700 . 3.600 3.377 3.116 3.612 0.012 10 0 "[ . 1 . 2]" 2
455 1 13 TYR QD 2 14 ILE MG 3.400 . 4.800 3.851 3.384 4.130 . 0 0 "[ . 1 . 2]" 2
456 2 16 TYR HB3 2 85 PHE HZ 3.500 . 5.100 4.671 3.541 5.181 0.081 2 0 "[ . 1 . 2]" 2
457 1 10 ALA HA 1 13 TYR QD 2.900 . 4.000 2.879 2.758 2.992 . 0 0 "[ . 1 . 2]" 2
458 1 1 ARG QB 1 2 MET HA 3.200 . 4.500 3.905 3.654 4.307 . 0 0 "[ . 1 . 2]" 2
459 1 2 MET HA 1 2 MET HB3 2.800 . 3.800 2.436 1.783 2.991 0.017 7 0 "[ . 1 . 2]" 2
460 1 1 ARG HA 1 2 MET HG2 2.900 . 3.900 3.361 2.624 4.819 0.919 4 4 "[-**+. 1 . 2]" 2
461 1 6 MET HA 1 6 MET HB2 2.400 . 3.100 2.515 2.373 2.969 . 0 0 "[ . 1 . 2]" 2
462 1 9 GLU HA 1 9 GLU HB2 2.400 . 3.100 2.403 2.196 2.695 . 0 0 "[ . 1 . 2]" 2
463 1 9 GLU HA 1 9 GLU HB3 2.400 . 3.100 2.593 2.318 2.910 . 0 0 "[ . 1 . 2]" 2
464 1 6 MET HA 1 6 MET HG2 3.100 . 4.300 2.641 2.320 2.882 . 0 0 "[ . 1 . 2]" 2
465 1 11 ALA HA 1 11 ALA MB 2.100 . 2.600 2.076 1.973 2.118 . 0 0 "[ . 1 . 2]" 2
466 1 5 GLN HA 1 8 LEU HB3 2.500 . 3.300 2.543 2.121 2.700 . 0 0 "[ . 1 . 2]" 2
467 1 5 GLN HA 1 8 LEU HB2 2.500 . 3.300 2.393 2.027 2.760 . 0 0 "[ . 1 . 2]" 2
468 1 4 ILE HA 1 4 ILE HG12 2.800 . 3.800 2.762 2.262 3.192 . 0 0 "[ . 1 . 2]" 2
469 1 4 ILE HA 1 7 LEU HG 3.200 . 4.500 3.476 2.669 4.495 . 0 0 "[ . 1 . 2]" 2
470 1 5 GLN HA 1 8 LEU QD 2.800 . 3.800 1.935 1.668 2.367 0.132 1 0 "[ . 1 . 2]" 2
471 1 8 LEU HB3 1 8 LEU HG 1.900 . 2.400 2.241 2.115 2.316 . 0 0 "[ . 1 . 2]" 2
472 1 2 MET HB3 1 3 ASN HA 3.600 . 5.200 4.243 3.391 5.106 . 0 0 "[ . 1 . 2]" 2
473 1 4 ILE MD 1 4 ILE MG 2.200 . 2.800 1.831 1.639 1.993 . 0 0 "[ . 1 . 2]" 2
474 1 7 LEU HA 1 7 LEU HG 2.700 . 3.600 2.715 2.328 3.021 . 0 0 "[ . 1 . 2]" 2
475 1 7 LEU HA 1 7 LEU HB2 2.600 . 3.400 2.479 2.192 2.678 . 0 0 "[ . 1 . 2]" 2
476 2 4 ASN QB 2 5 ASN H 2.900 . 3.900 2.420 1.904 3.226 . 0 0 "[ . 1 . 2]" 2
477 2 7 PRO HB2 2 8 VAL H 2.400 . 3.100 2.550 2.394 2.667 . 0 0 "[ . 1 . 2]" 2
478 1 6 MET ME 2 9 GLU H 3.900 . 5.800 4.470 2.148 5.607 . 0 0 "[ . 1 . 2]" 2
479 2 8 VAL HB 2 9 GLU H 2.400 . 3.100 2.179 1.883 2.326 . 0 0 "[ . 1 . 2]" 2
480 2 7 PRO HB2 2 11 ASN H 4.200 . 6.000 4.013 3.550 4.408 . 0 0 "[ . 1 . 2]" 2
481 2 11 ASN H 2 12 HIS H 2.800 . 3.800 2.361 2.280 2.466 . 0 0 "[ . 1 . 2]" 2
482 2 4 ASN H 2 5 ASN H 2.700 . 3.600 2.509 1.877 2.729 . 0 0 "[ . 1 . 2]" 2
483 2 15 ASN HA 2 16 TYR H 2.900 . 3.900 2.717 2.698 2.728 . 0 0 "[ . 1 . 2]" 2
484 2 15 ASN HB2 2 16 TYR H 2.500 . 3.300 2.480 2.315 2.574 . 0 0 "[ . 1 . 2]" 2
485 1 11 ALA HA 2 17 VAL H 3.800 . 5.600 4.055 3.597 4.208 . 0 0 "[ . 1 . 2]" 2
486 2 16 TYR HB3 2 17 VAL H 2.600 . 3.400 2.203 2.169 2.257 . 0 0 "[ . 1 . 2]" 2
487 2 15 ASN HA 2 18 ASN H 3.600 . 5.200 3.504 3.406 3.721 . 0 0 "[ . 1 . 2]" 2
488 2 16 TYR HB3 2 18 ASN H 3.500 . 5.100 3.438 3.408 3.484 . 0 0 "[ . 1 . 2]" 2
489 2 15 ASN HA 2 19 LYS H 3.100 . 4.300 3.263 3.200 3.338 . 0 0 "[ . 1 . 2]" 2
490 2 19 LYS H 2 19 LYS HA 2.600 . 3.400 2.702 2.645 2.748 . 0 0 "[ . 1 . 2]" 2
491 2 16 TYR HB3 2 19 LYS H 3.800 . 5.600 4.094 4.010 4.218 . 0 0 "[ . 1 . 2]" 2
492 2 19 LYS H 2 19 LYS HG2 4.200 . 6.000 3.905 3.809 4.001 . 0 0 "[ . 1 . 2]" 2
493 2 19 LYS H 2 19 LYS HG3 3.500 . 5.000 4.209 4.151 4.253 . 0 0 "[ . 1 . 2]" 2
494 2 17 VAL HA 2 20 ILE H 3.300 . 4.600 3.496 3.393 3.574 . 0 0 "[ . 1 . 2]" 2
495 2 19 LYS QB 2 20 ILE H 2.300 . 2.900 2.180 2.056 2.290 . 0 0 "[ . 1 . 2]" 2
496 2 19 LYS HG3 2 20 ILE H 3.900 . 5.800 4.532 4.398 4.640 . 0 0 "[ . 1 . 2]" 2
497 2 20 ILE HA 2 21 LYS H 2.800 . 3.800 2.715 2.692 2.728 . 0 0 "[ . 1 . 2]" 2
498 2 20 ILE HA 2 22 ASN H 3.300 . 4.600 3.344 3.321 3.381 . 0 0 "[ . 1 . 2]" 2
499 2 20 ILE HA 2 23 ARG H 3.500 . 5.000 3.322 3.177 3.562 . 0 0 "[ . 1 . 2]" 2
500 2 20 ILE HA 2 24 PHE H 3.100 . 4.300 3.438 3.283 3.582 . 0 0 "[ . 1 . 2]" 2
501 2 23 ARG HA 2 25 GLN H 3.600 . 5.200 3.583 3.463 3.705 . 0 0 "[ . 1 . 2]" 2
502 2 24 PHE HB2 2 25 GLN H 3.200 . 4.500 3.618 3.559 3.668 . 0 0 "[ . 1 . 2]" 2
503 2 26 GLY H 2 26 GLY HA3 2.600 . 3.400 2.225 2.200 2.253 . 0 0 "[ . 1 . 2]" 2
504 2 25 GLN QG 2 26 GLY H 3.100 . 4.300 3.573 2.690 4.122 . 0 0 "[ . 1 . 2]" 2
505 2 25 GLN HB3 2 26 GLY H 3.100 . 4.300 2.655 1.926 2.911 . 0 0 "[ . 1 . 2]" 2
506 2 25 GLN HB2 2 26 GLY H 3.700 . 5.400 3.761 3.492 3.959 . 0 0 "[ . 1 . 2]" 2
507 2 24 PHE HB3 2 27 GLN H 3.100 . 4.300 3.090 2.891 3.234 . 0 0 "[ . 1 . 2]" 2
508 2 24 PHE HB2 2 27 GLN H 3.300 . 4.700 3.589 2.618 4.238 . 0 0 "[ . 1 . 2]" 2
509 2 27 GLN HG3 2 29 ASP H 3.900 . 5.800 4.043 2.577 4.261 . 0 0 "[ . 1 . 2]" 2
510 2 30 ILE H 2 32 LYS H 3.500 . 5.000 3.948 3.826 4.080 . 0 0 "[ . 1 . 2]" 2
511 2 29 ASP HA 2 30 ILE H 3.100 . 4.300 2.698 2.669 2.742 . 0 0 "[ . 1 . 2]" 2
512 2 24 PHE HB2 2 30 ILE H 4.000 . 6.000 4.379 2.230 4.805 . 0 0 "[ . 1 . 2]" 2
513 2 24 PHE HB2 2 31 TYR H 3.800 . 5.600 4.076 3.575 4.454 . 0 0 "[ . 1 . 2]" 2
514 2 27 GLN HB2 2 31 TYR H 4.100 . 6.000 4.667 4.348 5.163 . 0 0 "[ . 1 . 2]" 2
515 2 20 ILE MG 2 31 TYR H 3.800 . 5.600 4.131 3.986 4.288 . 0 0 "[ . 1 . 2]" 2
516 2 30 ILE HB 2 32 LYS H 3.200 . 4.500 3.304 2.105 4.263 . 0 0 "[ . 1 . 2]" 2
517 2 30 ILE HA 2 33 ALA H 2.900 . 3.900 3.153 3.085 3.229 . 0 0 "[ . 1 . 2]" 2
518 2 33 ALA HA 2 34 PHE H 3.500 . 5.100 3.410 3.352 3.461 . 0 0 "[ . 1 . 2]" 2
519 2 34 PHE H 2 34 PHE HA 2.700 . 3.600 2.683 2.667 2.707 . 0 0 "[ . 1 . 2]" 2
520 2 30 ILE HA 2 34 PHE H 4.000 . 6.000 3.880 3.666 4.007 . 0 0 "[ . 1 . 2]" 2
521 2 34 PHE H 2 35 LEU H 2.500 . 3.300 2.471 2.423 2.542 . 0 0 "[ . 1 . 2]" 2
522 2 33 ALA HA 2 35 LEU H 4.100 . 6.000 4.404 4.268 4.605 . 0 0 "[ . 1 . 2]" 2
523 2 34 PHE HB3 2 35 LEU H 2.300 . 3.000 2.235 2.010 2.345 . 0 0 "[ . 1 . 2]" 2
524 2 30 ILE MD 2 33 ALA H 3.500 . 5.000 4.190 3.893 4.527 . 0 0 "[ . 1 . 2]" 2
525 2 20 ILE MG 2 34 PHE H 2.800 . 3.800 3.355 2.705 3.735 . 0 0 "[ . 1 . 2]" 2
526 2 20 ILE MG 2 35 LEU H 4.100 . 6.000 4.802 4.382 4.997 . 0 0 "[ . 1 . 2]" 2
527 2 33 ALA HA 2 36 GLU H 2.500 . 3.300 2.705 2.680 2.722 . 0 0 "[ . 1 . 2]" 2
528 2 32 LYS HA 2 36 GLU H 3.500 . 5.000 3.079 2.657 3.736 . 0 0 "[ . 1 . 2]" 2
529 2 34 PHE HB3 2 36 GLU H 3.500 . 5.000 3.435 3.365 3.499 . 0 0 "[ . 1 . 2]" 2
530 2 36 GLU H 2 36 GLU QG 3.000 . 4.100 3.190 2.256 3.779 . 0 0 "[ . 1 . 2]" 2
531 2 35 LEU HB3 2 36 GLU H 3.000 . 4.100 3.460 3.265 3.579 . 0 0 "[ . 1 . 2]" 2
532 2 33 ALA HA 2 37 ILE H 3.200 . 4.500 3.372 3.301 3.399 . 0 0 "[ . 1 . 2]" 2
533 2 34 PHE HB3 2 37 ILE H 5.100 . 6.000 4.174 3.984 4.587 . 0 0 "[ . 1 . 2]" 2
534 1 8 LEU QD 2 37 ILE H 3.900 . 5.800 4.169 3.540 4.556 . 0 0 "[ . 1 . 2]" 2
535 1 8 LEU QD 2 38 LEU H 3.200 . 4.500 2.424 1.844 2.928 0.056 7 0 "[ . 1 . 2]" 2
536 1 8 LEU QD 2 39 HIS H 3.800 . 5.600 3.325 2.849 3.852 . 0 0 "[ . 1 . 2]" 2
537 1 8 LEU QD 2 39 HIS H 3.400 . 4.900 3.183 2.786 3.543 . 0 0 "[ . 1 . 2]" 2
538 2 36 GLU HA 2 40 THR H 3.900 . 5.800 3.900 3.624 4.141 . 0 0 "[ . 1 . 2]" 2
539 2 42 GLN H 2 43 LYS HB2 3.800 . 5.600 4.520 4.387 4.736 . 0 0 "[ . 1 . 2]" 2
540 2 40 THR HA 2 43 LYS H 2.600 . 3.500 2.694 2.661 2.736 . 0 0 "[ . 1 . 2]" 2
541 2 42 GLN HG3 2 43 LYS H 4.200 . 6.000 4.164 3.482 4.923 . 0 0 "[ . 1 . 2]" 2
542 2 44 GLU H 2 44 GLU HA 2.500 . 3.300 2.480 2.456 2.511 . 0 0 "[ . 1 . 2]" 2
543 2 44 GLU H 2 44 GLU HG2 2.800 . 3.800 2.524 2.052 3.609 . 0 0 "[ . 1 . 2]" 2
544 2 44 GLU H 2 44 GLU HB2 2.200 . 2.800 2.243 2.130 2.490 . 0 0 "[ . 1 . 2]" 2
545 2 42 GLN HA 2 45 GLN H 2.600 . 3.400 2.713 2.687 2.744 . 0 0 "[ . 1 . 2]" 2
546 2 43 LYS HB3 2 44 GLU H 2.400 . 3.100 2.178 1.992 2.582 . 0 0 "[ . 1 . 2]" 2
547 2 45 GLN H 2 45 GLN HB2 2.200 . 2.800 2.204 1.991 2.467 . 0 0 "[ . 1 . 2]" 2
548 2 42 GLN HA 2 46 ARG H 3.100 . 4.300 3.292 3.221 3.366 . 0 0 "[ . 1 . 2]" 2
549 2 45 GLN HB2 2 46 ARG H 2.100 . 2.700 2.188 2.021 2.246 . 0 0 "[ . 1 . 2]" 2
550 2 43 LYS HA 2 47 ASN H 3.700 . 5.400 3.968 3.837 4.090 . 0 0 "[ . 1 . 2]" 2
551 2 43 LYS HG2 2 47 ASN H 4.100 . 6.000 4.074 3.865 4.359 . 0 0 "[ . 1 . 2]" 2
552 2 49 LYS H 2 50 GLU H 2.300 . 3.000 2.224 2.059 2.380 . 0 0 "[ . 1 . 2]" 2
553 2 11 ASN HA 2 12 HIS H 3.200 . 4.500 3.135 3.051 3.213 . 0 0 "[ . 1 . 2]" 2
554 2 44 GLU H 2 44 GLU HA 2.500 . 3.300 2.477 2.456 2.500 . 0 0 "[ . 1 . 2]" 2
555 2 41 TYR HA 2 44 GLU H 4.600 . 6.000 3.313 3.164 3.463 . 0 0 "[ . 1 . 2]" 2
556 2 45 GLN H 2 47 ASN HB2 3.100 . 4.300 3.908 2.456 4.184 . 0 0 "[ . 1 . 2]" 2
557 2 43 LYS HB2 2 44 GLU H 2.200 . 2.800 2.058 1.910 2.232 . 0 0 "[ . 1 . 2]" 2
558 2 43 LYS HG3 2 44 GLU H 4.400 . 6.000 3.696 2.568 4.003 . 0 0 "[ . 1 . 2]" 2
559 2 12 HIS H 2 13 ALA MB 3.700 . 5.400 3.127 2.650 3.423 . 0 0 "[ . 1 . 2]" 2
560 2 50 GLU H 2 51 ALA H 2.400 . 3.100 2.249 2.056 2.484 . 0 0 "[ . 1 . 2]" 2
561 2 18 ASN HA 2 19 LYS H 2.600 . 3.400 2.732 2.705 2.806 . 0 0 "[ . 1 . 2]" 2
562 2 49 LYS HA 2 51 ALA H 2.800 . 3.800 3.334 3.219 3.465 . 0 0 "[ . 1 . 2]" 2
563 2 49 LYS HA 2 52 GLY H 3.700 . 5.400 3.416 3.187 3.628 . 0 0 "[ . 1 . 2]" 2
564 2 52 GLY HA2 2 53 GLY H 2.500 . 3.300 2.422 2.036 2.773 . 0 0 "[ . 1 . 2]" 2
565 2 52 GLY HA3 2 53 GLY H 2.400 . 3.100 2.524 1.987 2.804 . 0 0 "[ . 1 . 2]" 2
566 2 45 GLN H 2 47 ASN H 3.400 . 4.800 3.260 1.992 4.001 0.008 10 0 "[ . 1 . 2]" 2
567 2 41 TYR HA 2 44 GLU H 2.800 . 3.800 2.489 2.132 3.184 . 0 0 "[ . 1 . 2]" 2
568 2 43 LYS HG2 2 44 GLU H 3.800 . 5.600 3.691 3.137 4.523 . 0 0 "[ . 1 . 2]" 2
569 2 48 ALA HA 2 55 TYR H 3.800 . 5.600 4.850 2.973 5.590 . 0 0 "[ . 1 . 2]" 2
570 2 54 ASN HB2 2 55 TYR H 2.600 . 3.500 2.985 1.778 3.375 . 0 0 "[ . 1 . 2]" 2
571 2 48 ALA MB 2 55 TYR H 3.500 . 5.000 4.411 3.251 4.996 . 0 0 "[ . 1 . 2]" 2
572 2 55 TYR HA 2 56 THR H 2.200 . 2.800 2.193 2.103 2.272 . 0 0 "[ . 1 . 2]" 2
573 2 61 GLU HG2 2 62 GLN H 4.300 . 6.000 4.479 3.677 4.788 . 0 0 "[ . 1 . 2]" 2
574 2 62 GLN HB3 2 63 GLU H 2.300 . 2.900 2.295 2.127 2.512 . 0 0 "[ . 1 . 2]" 2
575 2 59 LEU HB2 2 63 GLU H 3.400 . 4.800 4.689 4.533 4.831 0.031 18 0 "[ . 1 . 2]" 2
576 2 37 ILE MG 2 63 GLU H 4.000 . 6.000 4.344 3.688 4.942 . 0 0 "[ . 1 . 2]" 2
577 2 6 GLN H 2 7 PRO HD3 3.100 . 4.300 3.246 2.244 3.676 . 0 0 "[ . 1 . 2]" 2
578 2 6 GLN H 2 6 GLN HG3 2.700 . 3.600 2.513 1.971 3.339 . 0 0 "[ . 1 . 2]" 2
579 2 6 GLN H 2 7 PRO QG 3.000 . 6.000 4.576 3.868 4.837 . 0 0 "[ . 1 . 2]" 2
580 2 65 TYR H 2 66 ALA H 2.500 . 3.300 2.522 2.440 2.692 . 0 0 "[ . 1 . 2]" 2
581 2 37 ILE MD 2 67 GLN H 3.800 . 5.600 4.306 4.046 4.717 . 0 0 "[ . 1 . 2]" 2
582 2 66 ALA MB 2 70 ARG H 3.600 . 5.200 4.025 2.919 4.203 . 0 0 "[ . 1 . 2]" 2
583 2 64 VAL MG2 2 70 ARG H 4.000 . 6.000 3.997 3.494 4.169 . 0 0 "[ . 1 . 2]" 2
584 2 70 ARG HA 2 72 PHE H 3.100 . 4.300 3.397 3.218 3.484 . 0 0 "[ . 1 . 2]" 2
585 2 70 ARG QB 2 72 PHE H 3.300 . 4.700 4.408 4.166 4.595 . 0 0 "[ . 1 . 2]" 2
586 2 70 ARG HA 2 71 LEU H 2.700 . 3.600 2.716 2.679 2.746 . 0 0 "[ . 1 . 2]" 2
587 2 66 ALA HA 2 69 ALA H 3.000 . 4.100 3.648 3.511 3.920 . 0 0 "[ . 1 . 2]" 2
588 2 71 LEU QD 2 72 PHE H 2.900 . 4.000 3.568 3.216 3.775 . 0 0 "[ . 1 . 2]" 2
589 2 73 LYS HB2 2 74 ASN H 3.800 . 5.600 3.995 3.381 4.303 . 0 0 "[ . 1 . 2]" 2
590 2 67 GLN H 2 69 ALA H 3.300 . 4.600 3.445 3.051 3.619 . 0 0 "[ . 1 . 2]" 2
591 2 77 ASP HA 2 78 LEU H 2.500 . 3.300 2.558 2.541 2.583 . 0 0 "[ . 1 . 2]" 2
592 2 29 ASP HA 2 30 ILE H 2.700 . 3.600 2.620 2.598 2.650 . 0 0 "[ . 1 . 2]" 2
593 2 79 LEU H 2 80 SER QB 4.500 . 6.000 4.373 4.171 4.580 . 0 0 "[ . 1 . 2]" 2
594 2 75 GLN HB3 2 79 LEU H 3.200 . 4.500 3.616 2.383 4.336 . 0 0 "[ . 1 . 2]" 2
595 2 30 ILE H 2 30 ILE HB 2.700 . 3.600 2.513 2.434 2.586 . 0 0 "[ . 1 . 2]" 2
596 2 16 TYR QE 2 78 LEU H 4.000 . 6.000 4.021 3.726 4.342 . 0 0 "[ . 1 . 2]" 2
597 2 80 SER QB 2 81 GLU H 2.500 . 3.300 2.303 2.170 2.691 . 0 0 "[ . 1 . 2]" 2
598 2 82 PHE H 2 82 PHE QD 3.900 . 5.800 3.598 3.354 3.726 . 0 0 "[ . 1 . 2]" 2
599 2 16 TYR QE 2 82 PHE H 3.700 . 5.400 3.917 3.457 4.356 . 0 0 "[ . 1 . 2]" 2
600 2 79 LEU HA 2 82 PHE H 3.400 . 4.800 3.307 3.159 3.430 . 0 0 "[ . 1 . 2]" 2
601 2 80 SER HA 2 83 GLY H 2.700 . 3.600 2.604 2.581 2.638 . 0 0 "[ . 1 . 2]" 2
602 2 81 GLU HB3 2 82 PHE H 3.300 . 4.700 3.212 2.614 3.745 . 0 0 "[ . 1 . 2]" 2
603 2 82 PHE H 2 82 PHE HB2 2.200 . 2.800 2.149 2.085 2.187 . 0 0 "[ . 1 . 2]" 2
604 2 81 GLU HA 2 84 GLN H 2.800 . 3.800 2.762 2.650 2.820 . 0 0 "[ . 1 . 2]" 2
605 2 80 SER HA 2 84 GLN H 4.800 . 6.000 3.850 3.761 4.011 . 0 0 "[ . 1 . 2]" 2
606 2 83 GLY HA3 2 86 LEU H 3.200 . 4.500 3.401 3.338 3.497 . 0 0 "[ . 1 . 2]" 2
607 2 37 ILE MG 2 68 VAL H 3.400 . 4.900 3.547 3.251 3.894 . 0 0 "[ . 1 . 2]" 2
608 2 77 ASP HA 2 80 SER H 3.100 . 4.300 3.144 3.064 3.283 . 0 0 "[ . 1 . 2]" 2
609 1 7 LEU QD 2 82 PHE H 4.200 . 6.000 3.634 3.458 3.793 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 104
_Distance_constraint_stats_list.Viol_count 648
_Distance_constraint_stats_list.Viol_total 254.195
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ILE 0.087 0.037 3 0 "[ . 1 . 2]"
1 5 GLN 0.219 0.038 1 0 "[ . 1 . 2]"
1 6 MET 0.487 0.049 20 0 "[ . 1 . 2]"
1 7 LEU 0.164 0.059 5 0 "[ . 1 . 2]"
1 8 LEU 0.131 0.037 3 0 "[ . 1 . 2]"
1 9 GLU 0.483 0.038 1 0 "[ . 1 . 2]"
1 10 ALA 0.830 0.049 20 0 "[ . 1 . 2]"
1 11 ALA 0.202 0.059 5 0 "[ . 1 . 2]"
1 12 ASP 0.044 0.022 11 0 "[ . 1 . 2]"
1 13 TYR 0.264 0.028 13 0 "[ . 1 . 2]"
1 14 LEU 0.344 0.046 18 0 "[ . 1 . 2]"
1 15 GLU 0.038 0.014 5 0 "[ . 1 . 2]"
2 8 VAL 0.414 0.055 10 0 "[ . 1 . 2]"
2 9 GLU 0.153 0.026 14 0 "[ . 1 . 2]"
2 10 PHE 0.773 0.063 13 0 "[ . 1 . 2]"
2 11 ASN 0.189 0.055 10 0 "[ . 1 . 2]"
2 12 HIS 0.542 0.055 10 0 "[ . 1 . 2]"
2 13 ALA 0.294 0.041 2 0 "[ . 1 . 2]"
2 14 ILE 0.776 0.063 13 0 "[ . 1 . 2]"
2 15 ASN 0.274 0.055 10 0 "[ . 1 . 2]"
2 16 TYR 0.977 0.058 18 0 "[ . 1 . 2]"
2 17 VAL 0.346 0.050 9 0 "[ . 1 . 2]"
2 18 ASN 0.085 0.020 14 0 "[ . 1 . 2]"
2 19 LYS 0.094 0.013 8 0 "[ . 1 . 2]"
2 20 ILE 0.849 0.058 18 0 "[ . 1 . 2]"
2 21 LYS 0.205 0.050 9 0 "[ . 1 . 2]"
2 22 ASN 0.082 0.020 14 0 "[ . 1 . 2]"
2 23 ARG 0.009 0.009 12 0 "[ . 1 . 2]"
2 28 PRO 0.057 0.012 17 0 "[ . 1 . 2]"
2 29 ASP 0.109 0.024 16 0 "[ . 1 . 2]"
2 30 ILE 0.178 0.029 5 0 "[ . 1 . 2]"
2 31 TYR 0.875 0.046 8 0 "[ . 1 . 2]"
2 32 LYS 0.081 0.016 17 0 "[ . 1 . 2]"
2 33 ALA 0.184 0.024 16 0 "[ . 1 . 2]"
2 34 PHE 1.725 0.089 15 0 "[ . 1 . 2]"
2 35 LEU 0.888 0.046 8 0 "[ . 1 . 2]"
2 36 GLU 0.089 0.024 12 0 "[ . 1 . 2]"
2 37 ILE 0.517 0.043 9 0 "[ . 1 . 2]"
2 38 LEU 1.606 0.089 15 0 "[ . 1 . 2]"
2 39 HIS 0.152 0.027 13 0 "[ . 1 . 2]"
2 40 THR 0.163 0.033 10 0 "[ . 1 . 2]"
2 41 TYR 0.798 0.046 16 0 "[ . 1 . 2]"
2 42 GLN 0.121 0.029 20 0 "[ . 1 . 2]"
2 43 LYS 0.254 0.029 14 0 "[ . 1 . 2]"
2 44 GLU 0.193 0.033 10 0 "[ . 1 . 2]"
2 45 GLN 0.580 0.046 16 0 "[ . 1 . 2]"
2 46 ARG 0.116 0.029 20 0 "[ . 1 . 2]"
2 47 ASN 0.203 0.029 14 0 "[ . 1 . 2]"
2 48 ALA 0.095 0.029 9 0 "[ . 1 . 2]"
2 49 LYS 0.224 0.023 3 0 "[ . 1 . 2]"
2 50 GLU 0.054 0.025 18 0 "[ . 1 . 2]"
2 51 ALA 0.088 0.015 3 0 "[ . 1 . 2]"
2 61 GLU 0.268 0.031 4 0 "[ . 1 . 2]"
2 62 GLN 0.377 0.054 16 0 "[ . 1 . 2]"
2 63 GLU 0.129 0.038 10 0 "[ . 1 . 2]"
2 64 VAL 0.082 0.045 12 0 "[ . 1 . 2]"
2 65 TYR 0.795 0.086 18 0 "[ . 1 . 2]"
2 66 ALA 0.574 0.061 18 0 "[ . 1 . 2]"
2 67 GLN 0.742 0.055 19 0 "[ . 1 . 2]"
2 68 VAL 0.082 0.045 12 0 "[ . 1 . 2]"
2 69 ALA 0.527 0.086 18 0 "[ . 1 . 2]"
2 70 ARG 0.197 0.061 18 0 "[ . 1 . 2]"
2 71 LEU 0.612 0.055 19 0 "[ . 1 . 2]"
2 76 GLU 0.061 0.019 16 0 "[ . 1 . 2]"
2 77 ASP 0.236 0.038 9 0 "[ . 1 . 2]"
2 78 LEU 0.273 0.036 6 0 "[ . 1 . 2]"
2 79 LEU 0.173 0.033 13 0 "[ . 1 . 2]"
2 80 SER 0.483 0.042 12 0 "[ . 1 . 2]"
2 81 GLU 0.236 0.038 9 0 "[ . 1 . 2]"
2 82 PHE 0.273 0.036 6 0 "[ . 1 . 2]"
2 83 GLY 0.173 0.033 13 0 "[ . 1 . 2]"
2 84 GLN 0.422 0.042 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 8 VAL O 2 12 HIS H 1.900 . 2.100 2.101 1.978 2.155 0.055 10 0 "[ . 1 . 2]" 3
2 2 8 VAL O 2 12 HIS N 2.900 2.700 3.100 3.032 2.912 3.129 0.029 10 0 "[ . 1 . 2]" 3
3 2 9 GLU O 2 13 ALA H 1.900 . 2.100 2.096 2.033 2.126 0.026 14 0 "[ . 1 . 2]" 3
4 2 9 GLU O 2 13 ALA N 2.900 2.700 3.100 2.946 2.800 3.045 . 0 0 "[ . 1 . 2]" 3
5 2 10 PHE O 2 14 ILE H 1.900 . 2.100 2.136 2.116 2.163 0.063 13 0 "[ . 1 . 2]" 3
6 2 10 PHE O 2 14 ILE N 2.900 2.700 3.100 3.086 3.011 3.120 0.020 13 0 "[ . 1 . 2]" 3
7 2 11 ASN O 2 15 ASN H 1.900 . 2.100 2.090 1.975 2.155 0.055 10 0 "[ . 1 . 2]" 3
8 2 11 ASN O 2 15 ASN N 2.900 2.700 3.100 3.009 2.928 3.093 . 0 0 "[ . 1 . 2]" 3
9 2 12 HIS O 2 16 TYR H 1.900 . 2.100 2.087 2.034 2.128 0.028 19 0 "[ . 1 . 2]" 3
10 2 12 HIS O 2 16 TYR N 2.900 2.700 3.100 2.974 2.878 3.067 . 0 0 "[ . 1 . 2]" 3
11 2 13 ALA O 2 17 VAL H 1.900 . 2.100 2.080 1.950 2.141 0.041 2 0 "[ . 1 . 2]" 3
12 2 13 ALA O 2 17 VAL N 2.900 2.700 3.100 3.057 2.917 3.113 0.013 2 0 "[ . 1 . 2]" 3
13 2 14 ILE O 2 18 ASN H 1.900 . 2.100 2.013 1.931 2.103 0.003 14 0 "[ . 1 . 2]" 3
14 2 14 ILE O 2 18 ASN N 2.900 2.700 3.100 2.903 2.831 3.008 . 0 0 "[ . 1 . 2]" 3
15 2 15 ASN O 2 19 LYS H 1.900 . 2.100 2.095 2.050 2.113 0.013 8 0 "[ . 1 . 2]" 3
16 2 15 ASN O 2 19 LYS N 2.900 2.700 3.100 2.895 2.829 2.938 . 0 0 "[ . 1 . 2]" 3
17 2 16 TYR O 2 20 ILE H 1.900 . 2.100 2.141 2.122 2.158 0.058 18 0 "[ . 1 . 2]" 3
18 2 16 TYR O 2 20 ILE N 2.900 2.700 3.100 3.085 3.031 3.117 0.017 19 0 "[ . 1 . 2]" 3
19 2 17 VAL O 2 21 LYS H 1.900 . 2.100 2.100 2.024 2.150 0.050 9 0 "[ . 1 . 2]" 3
20 2 17 VAL O 2 21 LYS N 2.900 2.700 3.100 3.021 2.949 3.100 . 0 0 "[ . 1 . 2]" 3
21 2 18 ASN O 2 22 ASN H 1.900 . 2.100 2.080 1.983 2.120 0.020 14 0 "[ . 1 . 2]" 3
22 2 18 ASN O 2 22 ASN N 2.900 2.700 3.100 2.911 2.838 3.004 . 0 0 "[ . 1 . 2]" 3
23 2 19 LYS O 2 23 ARG H 1.900 . 2.100 2.026 1.931 2.109 0.009 12 0 "[ . 1 . 2]" 3
24 2 19 LYS O 2 23 ARG N 2.900 2.700 3.100 2.932 2.738 3.057 . 0 0 "[ . 1 . 2]" 3
25 2 28 PRO O 2 32 LYS H 1.900 . 2.100 2.071 1.987 2.112 0.012 17 0 "[ . 1 . 2]" 3
26 2 28 PRO O 2 32 LYS N 2.900 2.700 3.100 3.028 2.953 3.090 . 0 0 "[ . 1 . 2]" 3
27 2 29 ASP O 2 33 ALA H 1.900 . 2.100 2.086 2.013 2.124 0.024 16 0 "[ . 1 . 2]" 3
28 2 29 ASP O 2 33 ALA N 2.900 2.700 3.100 2.926 2.792 3.017 . 0 0 "[ . 1 . 2]" 3
29 2 30 ILE O 2 34 PHE H 1.900 . 2.100 2.098 2.039 2.129 0.029 5 0 "[ . 1 . 2]" 3
30 2 30 ILE O 2 34 PHE N 2.900 2.700 3.100 3.045 2.914 3.095 . 0 0 "[ . 1 . 2]" 3
31 2 31 TYR O 2 35 LEU H 1.900 . 2.100 2.134 2.123 2.146 0.046 8 0 "[ . 1 . 2]" 3
32 2 31 TYR O 2 35 LEU N 2.900 2.700 3.100 3.109 3.089 3.125 0.025 8 0 "[ . 1 . 2]" 3
33 2 32 LYS O 2 36 GLU H 1.900 . 2.100 2.053 1.982 2.116 0.016 17 0 "[ . 1 . 2]" 3
34 2 32 LYS O 2 36 GLU N 2.900 2.700 3.100 2.912 2.833 3.010 . 0 0 "[ . 1 . 2]" 3
35 2 33 ALA O 2 37 ILE H 1.900 . 2.100 2.075 1.951 2.124 0.024 7 0 "[ . 1 . 2]" 3
36 2 33 ALA O 2 37 ILE N 2.900 2.700 3.100 2.959 2.902 3.031 . 0 0 "[ . 1 . 2]" 3
37 2 34 PHE O 2 38 LEU H 1.900 . 2.100 2.156 2.137 2.189 0.089 15 0 "[ . 1 . 2]" 3
38 2 34 PHE O 2 38 LEU N 2.900 2.700 3.100 3.121 3.107 3.143 0.043 20 0 "[ . 1 . 2]" 3
39 2 35 LEU O 2 39 HIS H 1.900 . 2.100 2.003 1.934 2.113 0.013 11 0 "[ . 1 . 2]" 3
40 2 35 LEU O 2 39 HIS N 2.900 2.700 3.100 2.889 2.786 2.984 . 0 0 "[ . 1 . 2]" 3
41 2 36 GLU O 2 40 THR H 1.900 . 2.100 2.062 1.993 2.124 0.024 12 0 "[ . 1 . 2]" 3
42 2 36 GLU O 2 40 THR N 2.900 2.700 3.100 3.014 2.954 3.076 . 0 0 "[ . 1 . 2]" 3
43 2 37 ILE O 2 41 TYR H 1.900 . 2.100 2.118 2.039 2.143 0.043 9 0 "[ . 1 . 2]" 3
44 2 37 ILE O 2 41 TYR N 2.900 2.700 3.100 3.035 2.896 3.077 . 0 0 "[ . 1 . 2]" 3
45 2 38 LEU O 2 42 GLN H 1.900 . 2.100 2.077 1.955 2.123 0.023 8 0 "[ . 1 . 2]" 3
46 2 38 LEU O 2 42 GLN N 2.900 2.700 3.100 2.991 2.810 3.082 . 0 0 "[ . 1 . 2]" 3
47 2 39 HIS O 2 43 LYS H 1.900 . 2.100 2.085 2.022 2.127 0.027 13 0 "[ . 1 . 2]" 3
48 2 39 HIS O 2 43 LYS N 2.900 2.700 3.100 2.980 2.907 3.072 . 0 0 "[ . 1 . 2]" 3
49 2 40 THR O 2 44 GLU H 1.900 . 2.100 2.061 1.953 2.133 0.033 10 0 "[ . 1 . 2]" 3
50 2 40 THR O 2 44 GLU N 2.900 2.700 3.100 3.017 2.888 3.100 . 0 0 "[ . 1 . 2]" 3
51 2 41 TYR O 2 45 GLN H 1.900 . 2.100 2.106 1.995 2.146 0.046 16 0 "[ . 1 . 2]" 3
52 2 41 TYR O 2 45 GLN N 2.900 2.700 3.100 3.007 2.863 3.116 0.016 9 0 "[ . 1 . 2]" 3
53 2 42 GLN O 2 46 ARG H 1.900 . 2.100 2.020 1.921 2.129 0.029 20 0 "[ . 1 . 2]" 3
54 2 42 GLN O 2 46 ARG N 2.900 2.700 3.100 2.943 2.806 3.085 . 0 0 "[ . 1 . 2]" 3
55 2 43 LYS O 2 47 ASN H 1.900 . 2.100 2.080 2.014 2.129 0.029 14 0 "[ . 1 . 2]" 3
56 2 43 LYS O 2 47 ASN N 2.900 2.700 3.100 3.011 2.918 3.103 0.003 14 0 "[ . 1 . 2]" 3
57 2 44 GLU O 2 48 ALA H 1.900 . 2.100 2.091 2.043 2.129 0.029 9 0 "[ . 1 . 2]" 3
58 2 44 GLU O 2 48 ALA N 2.900 2.700 3.100 2.960 2.812 3.082 . 0 0 "[ . 1 . 2]" 3
59 2 45 GLN O 2 49 LYS H 1.900 . 2.100 2.110 2.087 2.123 0.023 3 0 "[ . 1 . 2]" 3
60 2 45 GLN O 2 49 LYS N 2.900 2.700 3.100 3.039 2.964 3.086 . 0 0 "[ . 1 . 2]" 3
61 2 46 ARG O 2 50 GLU H 1.900 . 2.100 2.083 1.994 2.125 0.025 18 0 "[ . 1 . 2]" 3
62 2 46 ARG O 2 50 GLU N 2.900 2.700 3.100 2.929 2.773 3.061 . 0 0 "[ . 1 . 2]" 3
63 2 47 ASN O 2 51 ALA H 1.900 . 2.100 2.081 1.916 2.115 0.015 3 0 "[ . 1 . 2]" 3
64 2 47 ASN O 2 51 ALA N 2.900 2.700 3.100 2.878 2.718 3.038 . 0 0 "[ . 1 . 2]" 3
65 2 61 GLU O 2 65 TYR H 1.900 . 2.100 2.098 2.025 2.131 0.031 4 0 "[ . 1 . 2]" 3
66 2 61 GLU O 2 65 TYR N 2.900 2.700 3.100 3.068 2.983 3.105 0.005 19 0 "[ . 1 . 2]" 3
67 2 62 GLN O 2 66 ALA H 1.900 . 2.100 2.116 2.061 2.154 0.054 16 0 "[ . 1 . 2]" 3
68 2 62 GLN O 2 66 ALA N 2.900 2.700 3.100 3.014 2.948 3.083 . 0 0 "[ . 1 . 2]" 3
69 2 63 GLU O 2 67 GLN H 1.900 . 2.100 2.100 2.057 2.138 0.038 10 0 "[ . 1 . 2]" 3
70 2 63 GLU O 2 67 GLN N 2.900 2.700 3.100 3.068 3.018 3.100 . 0 0 "[ . 1 . 2]" 3
71 2 64 VAL O 2 68 VAL H 1.900 . 2.100 1.869 1.839 1.900 . 0 0 "[ . 1 . 2]" 3
72 2 64 VAL O 2 68 VAL N 2.900 2.700 3.100 2.806 2.655 2.851 0.045 12 0 "[ . 1 . 2]" 3
73 2 65 TYR O 2 69 ALA H 1.900 . 2.100 2.126 2.097 2.186 0.086 18 0 "[ . 1 . 2]" 3
74 2 65 TYR O 2 69 ALA N 2.900 2.700 3.100 2.939 2.870 2.998 . 0 0 "[ . 1 . 2]" 3
75 2 66 ALA O 2 70 ARG H 1.900 . 2.100 2.096 2.054 2.161 0.061 18 0 "[ . 1 . 2]" 3
76 2 66 ALA O 2 70 ARG N 2.900 2.700 3.100 2.967 2.875 3.105 0.005 18 0 "[ . 1 . 2]" 3
77 2 67 GLN O 2 71 LEU H 1.900 . 2.100 2.131 2.101 2.155 0.055 19 0 "[ . 1 . 2]" 3
78 2 67 GLN O 2 71 LEU N 2.900 2.700 3.100 3.056 3.013 3.096 . 0 0 "[ . 1 . 2]" 3
79 2 76 GLU O 2 80 SER H 1.900 . 2.100 2.034 1.887 2.119 0.019 16 0 "[ . 1 . 2]" 3
80 2 76 GLU O 2 80 SER N 2.900 2.700 3.100 2.937 2.794 3.037 . 0 0 "[ . 1 . 2]" 3
81 2 77 ASP O 2 81 GLU H 1.900 . 2.100 2.105 2.000 2.138 0.038 9 0 "[ . 1 . 2]" 3
82 2 77 ASP O 2 81 GLU N 2.900 2.700 3.100 3.059 2.969 3.097 . 0 0 "[ . 1 . 2]" 3
83 2 78 LEU O 2 82 PHE H 1.900 . 2.100 2.102 2.015 2.136 0.036 6 0 "[ . 1 . 2]" 3
84 2 78 LEU O 2 82 PHE N 2.900 2.700 3.100 2.989 2.823 3.089 . 0 0 "[ . 1 . 2]" 3
85 2 79 LEU O 2 83 GLY H 1.900 . 2.100 2.103 2.052 2.133 0.033 13 0 "[ . 1 . 2]" 3
86 2 79 LEU O 2 83 GLY N 2.900 2.700 3.100 2.858 2.725 3.048 . 0 0 "[ . 1 . 2]" 3
87 2 80 SER O 2 84 GLN H 1.900 . 2.100 2.117 2.040 2.142 0.042 12 0 "[ . 1 . 2]" 3
88 2 80 SER O 2 84 GLN N 2.900 2.700 3.100 2.987 2.913 3.087 . 0 0 "[ . 1 . 2]" 3
89 1 4 ILE O 1 8 LEU H 1.900 . 2.100 2.075 1.937 2.137 0.037 3 0 "[ . 1 . 2]" 3
90 1 4 ILE O 1 8 LEU N 2.900 2.700 3.100 3.003 2.886 3.063 . 0 0 "[ . 1 . 2]" 3
91 1 5 GLN O 1 9 GLU H 1.900 . 2.100 2.086 2.004 2.138 0.038 1 0 "[ . 1 . 2]" 3
92 1 5 GLN O 1 9 GLU N 2.900 2.700 3.100 3.000 2.808 3.104 0.004 6 0 "[ . 1 . 2]" 3
93 1 6 MET O 1 10 ALA H 1.900 . 2.100 2.123 2.091 2.149 0.049 20 0 "[ . 1 . 2]" 3
94 1 6 MET O 1 10 ALA N 2.900 2.700 3.100 3.055 2.977 3.108 0.008 20 0 "[ . 1 . 2]" 3
95 1 7 LEU O 1 11 ALA H 1.900 . 2.100 2.078 2.001 2.159 0.059 5 0 "[ . 1 . 2]" 3
96 1 7 LEU O 1 11 ALA N 2.900 2.700 3.100 2.971 2.743 3.113 0.013 5 0 "[ . 1 . 2]" 3
97 1 8 LEU O 1 12 ASP H 1.900 . 2.100 2.047 1.910 2.122 0.022 11 0 "[ . 1 . 2]" 3
98 1 8 LEU O 1 12 ASP N 2.900 2.700 3.100 2.990 2.888 3.081 . 0 0 "[ . 1 . 2]" 3
99 1 9 GLU O 1 13 TYR H 1.900 . 2.100 2.111 2.076 2.128 0.028 13 0 "[ . 1 . 2]" 3
100 1 9 GLU O 1 13 TYR N 2.900 2.700 3.100 2.902 2.815 2.994 . 0 0 "[ . 1 . 2]" 3
101 1 10 ALA O 1 14 LEU H 1.900 . 2.100 2.106 2.038 2.146 0.046 18 0 "[ . 1 . 2]" 3
102 1 10 ALA O 1 14 LEU N 2.900 2.700 3.100 3.049 2.824 3.113 0.013 18 0 "[ . 1 . 2]" 3
103 1 11 ALA O 1 15 GLU H 1.900 . 2.100 2.068 1.972 2.114 0.014 5 0 "[ . 1 . 2]" 3
104 1 11 ALA O 1 15 GLU N 2.900 2.700 3.100 2.968 2.810 3.060 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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